SCHEMBL980893

SCHEMBL980893

CCc1cccc(O)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
ANPEP P15144 1/20 0.46
DPP4 P27487 1/20 0.46
AKR1B1 P15121 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HSPA5 P11021 1/20 0.41
BACE1 P56817 2/20 0.41
PTPN5 P54829 1/20 0.41
BCL2L1 Q07817 3/20 0.40
BID P55957 2/20 0.40
MCL1 Q07820 2/20 0.40
BAK1 Q16611 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
Potassium SCHEMBL324000 0.98 GABRA1 (0.48) GABRA1GABRB2ANPEPDPP4AKR1B1
Ammonia Solution, Strong SCHEMBL324962 0.98 GABRA1 (0.48) GABRA1GABRB2ANPEPDPP4AKR1B1
Acrylic Acid SCHEMBL28562605 0.88 AKR1B1 (0.41) GABRA1GABRB2ANPEPDPP4AKR1B1
SCHEMBL3344675 0.85 GABRA1 (0.61) GABRA1GABRB2ANPEPDPP4AKR1B1
SCHEMBL982273 0.85 ELANE (0.45) AKR1B1ESR1ESR2HSPA5BCL2L1
SCHEMBL5022807 0.83 HSPA5 (0.56) AKR1B1HDAC4HDAC2HDAC8HSPA5
SCHEMBL11019413 0.83 GABRA1 (0.58) GABRA1GABRB2ANPEPDPP4AKR1B1
SCHEMBL28292079 0.82 AKR1B1 (0.48) AKR1B1HDAC4HDAC2HDAC8HSPA5
SCHEMBL548499 0.82 BID (0.50) BCL2L1BIDMCL1BAK1HSD17B10
SCHEMBL28220947 0.82 PDCD1 (0.50) DPP4AKR1B1ESR1ESR2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596129-A1 PHASE DIFFERENCE COMPENSATION FILM IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-05-11 EP claimed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
CN-105246940-B Optical semiconductor sealing solidification compound 株式会社大赛璐 2018-09-04 CN disclosed
EP-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP disclosed
US-9685597-B2 Curable composition for sealing optical semiconductor DAICEL CORPORATION (JP) 2017-06-20 US disclosed
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 US disclosed
EP-2147909-B1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-12-14 EP disclosed
US-20160126431-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR DAICEL CORPORATION (JP) 2016-05-05 US disclosed
EP-3006481-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR Daicel Corporation (JP) 2016-04-13 EP disclosed
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 US disclosed
EP-2213658-A1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-08-04 EP disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed
CN-101506336-A Biofuel composition and method of producing a biofuel NEW GENERATION BIOFUELS INC (US) 2009-08-12 CN disclosed
CN-101186577-A Liquid crystal monomer with reaction character and preparation method thereof NORTHWEST IND UNIVERSITY (CN) 2008-05-28 CN disclosed
CN-101007798-A Benzodioxole derivatives and their preparation method and medicinal uses POISON MED INST PLA MED ACAD (CN) 2007-08-01 CN disclosed
US-6391925-B1 MICROBIOCIDES; ANTISEPTICS ECOLAB INC. 2002-05-21 US disclosed
EP-0786699-A1 Positive photoresist composition Fuji Photo Film Co., Ltd. (JP) 1997-07-30 EP disclosed
EP-0596129-A1 PHASE DIFFERENCE COMPENSATION FILM IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-05-11 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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 GABRA1 2484/4885GABRB2 2619/4885ANPEP 145/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD GABRA1 2713/4885GABRB2 3296/4885ANPEP 156/4885

“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.