SCHEMBL1023129

SCHEMBL1023129

CCc1cc(-c2ccccc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.66
CYP1A2 P05177 1/20 0.62
BACE1 P56817 1/20 0.59
ALOX5 P09917 1/20 0.57
ACMSD Q8TDX5 3/20 0.53
HNF4A P41235 2/20 0.53
DHFR P00374 1/20 0.53
MCL1 Q07820 1/20 0.53
ESR2 Q92731 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HSP90AA1 P07900 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52

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
SCHEMBL13678958 0.92 HSD17B1 (0.75) HSD17B1CYP1A2BACE1ALOX5MCL1
SCHEMBL16581416 0.90 HSD17B1 (0.62) HSD17B1CYP1A2BACE1ACMSDESR2
SCHEMBL3953461 0.89 HSD17B1 (0.71) HSD17B1CYP1A2BACE1ALOX5ESR2
SCHEMBL26134242 0.86 HSD17B1 (0.68) HSD17B1CYP1A2BACE1ALOX5ESR2
SCHEMBL2720462 0.86 HSD17B1 (0.68) HSD17B1CYP1A2BACE1ALOX5ESR2
SCHEMBL1023623 0.85 ALOX5 (0.58) HSD17B1CYP1A2BACE1ALOX5ACMSD
SCHEMBL4199791 0.84 ALOX5 (0.57) HSD17B1CYP1A2BACE1ALOX5ACMSD
SCHEMBL50409 0.83 BACE1 (0.62) HSD17B1CYP1A2BACE1ALOX5ACMSD
SCHEMBL8370360 0.82 HSD17B1 (0.64) HSD17B1CYP1A2BACE1ESR2KDM4E
SCHEMBL1024737 0.82 CYP1A2 (0.55) HSD17B1CYP1A2BACE1ALOX5ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4431491-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
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-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO 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
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-20150259279-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) 2015-09-17 US disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN disclosed
CN-1205195-C Disubstituted biphexyloxazolines BAYER AG (DE) 2005-06-08 CN disclosed
EP-0970059-B1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER CROPSCIENCE AG (DE) 2003-08-20 EP disclosed
US-20020086892-A1 For controlling animal pests, in particular: insects, arachnids and nematodes BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 US disclosed
US-6410581-B1 INSECTICIDES, MITICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
CN-1255127-A Disubstituted biphexyloxazolines BAYER AG (DE) 2000-05-31 CN disclosed
EP-0970059-A1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER AG (DE) 2000-01-12 EP disclosed
WO-1998039310-A1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-11 WO disclosed
US-5723500-A WATER INSOLUBLE, NONCATIONIC, ANTIBACTERIAL, STERICALLY HINDERED PHENOL; MOUTHWASHES, DENTIFRICES COLGATE-PALMOLIVE COMPANY (US) 1998-03-03 US disclosed
US-4123452-A FOR YELLOW DYEING OF POLYESTERS, HEAT RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-31 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 (3 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-20020086892-A1 For controlling animal pests, in particular: insects, arachnids and nematodes ATXN2, HAX1, ANTXR2 HSD17B1 2738/4885CYP1A2 89/4885BACE1 2188/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 HSD17B1 909/4885CYP1A2 297/4885BACE1 1750/4885
US-20150259279-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 HSD17B1 1083/4885CYP1A2 308/4885BACE1 3461/4885

“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.