SCHEMBL1835686

SCHEMBL1835686

CCc1cccc(OC(C)(C)Cc2cccc(O)c2CC(C)(C)Oc2cccc(CC)c2CC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ANPEP P15144 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1833086 0.92 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL1836377 0.90 GABRA1 (0.41) GABRA1GABRB2CA12CA1CA2
SCHEMBL1837416 0.90 GABRA1 (0.41) GABRA1GABRB2CA1CA2TP53
SCHEMBL1836220 0.84 LTB4R (0.36) GABRA1GABRB2IAPPCNR1CNR2
SCHEMBL1839736 0.82 LTB4R (0.36) ALOX5PTGS2
SCHEMBL1840818 0.82 TRPA1 (0.37) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL1839116 0.82 ALOX5 (0.41) HPGDMAPK1IAPPCNR1CNR2
SCHEMBL1840632 0.81 PTGS2 (0.46) KDM4EMAPTALOX15HSD17B10CNR1
SCHEMBL1838803 0.81 ESR1 (0.30)
SCHEMBL1838890 0.81 TRPA1 (0.43) KDM4EALDH1A1LMNATP53CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
EP-3153500-A1 METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-3153499-A1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
US-9145358-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-9145357-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-20140194650-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-8658819-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-02-25 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 GABRA1 2395/4885GABRB2 2632/4885CA12 221/4885
US-20140194650-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 GABRA1 2395/4885GABRB2 2632/4885CA12 221/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH GABRA1 1573/4885GABRB2 1720/4885CA12 414/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH GABRA1 1573/4885GABRB2 1720/4885CA12 414/4885
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 GABRA1 2395/4885GABRB2 2632/4885CA12 221/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.