SCHEMBL1836353

SCHEMBL1836353

CCC(OC1CCCC1)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PDE4A P27815 1/20 0.32

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
SCHEMBL1837606 0.98 TSHR (0.46) TSHRGABRA1GABRB2ALDH1A1POLB
SCHEMBL1835938 0.87 TSHR (0.37) TSHRALDH1A1KMT2AKDM4EBCHE
SCHEMBL1840904 0.87 TSHR (0.40) TSHRGABRA1GABRB2ALDH1A1ALOX15
SCHEMBL1836666 0.85 TSHR (0.36) TSHRALDH1A1KMT2AKDM4EBCHE
SCHEMBL1835324 0.84 TSHR (0.38) TSHRGABRA1GABRB2ALDH1A1KMT2A
SCHEMBL1837325 0.83 SLC37A4 (0.38) TSHRGABRA1GABRB2ALDH1A1BCHE
SCHEMBL1834893 0.82 SLC37A4 (0.38) TSHRGABRA1GABRB2PDE4A
SCHEMBL19361592 0.80 PDE4A (0.43) ALDH1A1KDM4EHPGDPDE4A
SCHEMBL1834041 0.79 ADRB2 (0.35) ALDH1A1ALOX12
SCHEMBL1846694 0.79 GABRA1 (0.47) TSHRGABRA1GABRB2ALDH1A1KMT2A

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 41 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
CN-107266338-B The manufacturing method of isocyanates 旭化成株式会社 2019-10-11 — — CN disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 — — EP disclosed
EP-2895456-B1 AMINOETHYLATION PROCESS FOR PRODUCING ARYLOXYALKYLENE AMINE COMPOUNDS CHEVRON ORONITE CO (US) 2018-05-30 — — EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 — — EP disclosed
CN-105102422-B Method for producing isocyanate 旭化成株式会社 2018-01-09 — — CN disclosed
CN-107266338-A The manufacture method of isocyanates 旭化成株式会社 2017-10-20 — — CN 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-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
WO-2014042756-A1 AMINOETHYLATION PROCESS FOR PRODUCING ARYLOXYALKYLENE AMINE COMPOUNDS CHEVRON ORONITE COMPANY LLC (US) 2014-03-20 — — WO disclosed
US-20140073814-A1 AMINOETHYLATION PROCESS HAVING IMPROVED YIELD OF ARYLOXYALKYLENE AMINE COMPOUNDS AND REDUCED UREA BY-PRODUCTS CHEVRON ORONITE COMPANY LLC (US) 2014-03-13 — — 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
CN-103588680-A Composition for transfer and storage of N-substituted carbamic acid ester and isocyanate production method ASAHI KASEI CHEMICALS CORP 2014-02-19 — — CN disclosed
CN-103553972-A Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORP 2014-02-05 — — CN 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 TSHR 4686/4885GABRA1 2395/4885GABRB2 2632/4885
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 TSHR 4686/4885GABRA1 2395/4885GABRB2 2632/4885
US-20140073814-A1 AMINOETHYLATION PROCESS HAVING IMPROVED YIELD OF ARYLOXYALKYLENE AMINE COMPOUNDS AND REDUCED UREA BY-PRODUCTS SRM, ODC1, DDC TSHR 2444/4885GABRA1 2336/4885GABRB2 1357/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TSHR 2998/4885GABRA1 1573/4885GABRB2 1720/4885
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 TSHR 4686/4885GABRA1 2395/4885GABRB2 2632/4885

“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.

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