SCHEMBL1839615

SCHEMBL1839615

CCCOC(C)Cc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
TAAR1 Q96RJ0 3/20 0.50
ESR1 P03372 10/20 0.48
ESR2 Q92731 7/20 0.48
SLC7A5 Q01650 1/20 0.42
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CHRM1 P11229 2/20 0.41
TSHR P16473 1/20 0.41
KDR P35968 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8148589 0.95 TAAR1 (0.46) SLC6A2TAAR1ESR1ESR2SLC7A5
SCHEMBL1839950 0.89 ESR1 (0.47) SLC6A2TAAR1ESR1ESR2LTA4H
SCHEMBL1832895 0.88 NR5A1 (0.50) SLC6A2TAAR1ESR1ESR2LTA4H
SCHEMBL1838164 0.86 NR5A1 (0.53) SLC6A2TAAR1ESR1ESR2LTA4H
SCHEMBL1834037 0.86 NR5A1 (0.53) SLC6A2TAAR1ESR1ESR2LTA4H
SCHEMBL1840500 0.86 NR5A1 (0.53) SLC6A2TAAR1ESR1ESR2LTA4H
SCHEMBL1836318 0.86 NR5A1 (0.53) SLC6A2TAAR1ESR1ESR2LTA4H
SCHEMBL1952793 0.86 NR5A1 (0.53) SLC6A2TAAR1ESR1ESR2LTA4H
SCHEMBL1834439 0.86 NR5A1 (0.53) SLC6A2TAAR1ESR1ESR2LTA4H
SCHEMBL1834443 0.86 NR5A1 (0.53) SLC6A2TAAR1ESR1ESR2LTA4H

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 32 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-3153499-A1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP 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
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
CN-102105439-A Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP (JP) 2011-06-22 CN 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
EP-0806417-B1 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL CO (JP) 2000-03-08 EP disclosed
EP-0806417-A1 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-11-12 EP disclosed
US-5374376-A Optically active aromatic compounds, preparation process therefor, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-12-20 US disclosed
EP-0357435-B1 Optically active aromatic compounds, preparation process therefor, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1993-12-08 EP disclosed
EP-0357435-A2 Optically active aromatic compounds, preparation process therefor, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 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 (2 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 SLC6A2 1998/4885TAAR1 2964/4885ESR1 869/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH SLC6A2 3363/4885TAAR1 3202/4885ESR1 623/4885

“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.