SCHEMBL982045

SCHEMBL982045

Oc1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 1/20 0.43
GMNN O75496 1/20 0.43
EGFR P00533 1/20 0.43
CA2 P00918 1/20 0.43
FYN P06241 1/20 0.43
CA3 P07451 1/20 0.43

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
SCHEMBL51106 0.95 GABRA1 (0.52) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL31375412 0.87 GABRA1 (0.54) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL1758215 0.87 GABRA1 (0.54) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL10957120 0.86 TYR (0.43) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL2863812 0.86 TDP1 (0.58) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL28411007 0.85 GABRA1 (0.43) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL7771198 0.84 HPGD (0.46) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL29407501 0.84 GABRA1 (0.62) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL78917 0.84 GABRA1 (0.62) GABRA1GABRB2KMT2AALDH1A1TDP1
SCHEMBL6414770 0.83 ALOX15 (0.46) GABRA1GABRB2KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805650-A Metallocene catalyst for preparing cycloolefin copolymer and preparation method thereof 东华工程科技股份有限公司 2022-07-29 CN claimed
US-4483948-A PRETREATMENT BEFORE REINFORCEMENT PPG INDUSTRIES, INC. (US) 1984-11-20 US claimed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
CN-114805650-B Metallocene catalyst for preparing cycloolefin copolymer and preparation method thereof 东华工程科技股份有限公司 2022-12-30 CN disclosed
CN-114805650-A Metallocene catalyst for preparing cycloolefin copolymer and preparation method thereof 东华工程科技股份有限公司 2022-07-29 CN disclosed
CN-113038834-B Benzhydrylated aromatic surfactants 银都拉玛投资氧化物有限责任公司 2022-07-22 CN disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
CN-113038834-A Diphenylmethylated aromatic surfactants 银都拉玛投资氧化物有限责任公司 2021-06-25 CN 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
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-1127245-A Catalytic systems and methods for carbonylation DAICEL CHEM (JP) 1996-07-24 CN disclosed
EP-0327318-A2 Heat-sensitive recording materials FUJI PHOTO FILM CO., LTD. (JP) 1989-08-09 EP disclosed
EP-0323887-A2 Heat-sensitive diazo recording materials FUJI PHOTO FILM CO., LTD. (JP) 1989-07-12 EP disclosed
US-4631330-A Addition compounds and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed
EP-0194349-A2 Addition compounds and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed
US-4483948-A PRETREATMENT BEFORE REINFORCEMENT PPG INDUSTRIES, INC. (US) 1984-11-20 US disclosed
US-4341677-A Antioxidants and reinforced polymers and oil-in-water emulsions of antioxidants PPG INDUSTRIES, INC. (US) 1982-07-27 US 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 (1 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 2619/4885KMT2A 851/4885

“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.