SCHEMBL982859

SCHEMBL982859

Cc1ccc(O)c(-c2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
ATM Q13315 1/20 0.44
ALOX5 P09917 1/20 0.41
BACE1 P56817 1/20 0.41
ESR2 Q92731 5/20 0.41
PDE4B Q07343 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ESR1 P03372 3/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL27714749 0.86 ESR2 (0.44) ALOX5BACE1ESR2PDE4BPDE4A
SCHEMBL30335040 0.86 ALOX5 (0.44) TRPA1ATMALOX5BACE1ESR2
SCHEMBL4275553 0.86 ALOX5 (0.44) TRPA1ATMALOX5BACE1ESR2
SCHEMBL27708307 0.84 ESR2 (0.43) ALOX5BACE1ESR2PDE4BPDE4A
SCHEMBL27957735 0.84 PDE4B (0.44) TRPA1ALOX5BACE1ESR2PDE4B
SCHEMBL27491844 0.84 TRPA1 (0.43) TRPA1ATMALOX5BACE1ESR2
SCHEMBL6227967 0.83 TRPA1 (0.48) TRPA1ATMESR2ESR1KDM4E
SCHEMBL28155065 0.81 MAPT (0.42) ALOX5ESR2ESR1KDM4EGAA
SCHEMBL27530617 0.81 TTR (0.43) ALOX5BACE1ESR2PDE4BPDE4A
SCHEMBL11649175 0.81 HPGD (0.50) TRPA1ATMALOX5BACE1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957152-A Synthetic method of benzoxazole compound 湖南第一师范学院 2022-08-30 CN claimed
CN-114957152-B Synthesis method of benzoxazole compound 湖南第一师范学院 2023-11-17 CN disclosed
CN-114957152-A Synthetic method of benzoxazole compound 湖南第一师范学院 2022-08-30 CN disclosed
CN-114040907-A Method for producing diphenylsulfone compound 小西化学工业株式会社 2022-02-11 CN disclosed
CN-111607244-B Natural polyphenol cross-linked palm oil-based resin-based bamboo fiber reinforced composite material and preparation method thereof 福建农林大学 2022-01-07 CN disclosed
CN-112679635-A Preparation method of supported metallocene catalyst and catalyst prepared by same 中国石油化工股份有限公司 2021-04-20 CN disclosed
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
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-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
US-7615650-B2 Process for producing chroman compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-11-10 US disclosed
WO-2009108704-A1 O-ALKYLATED PI-3 KINASE INHIBITOR PRODRUG COMBINATION SEMAFORE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-20070179304-A1 Process for producing chroman compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-08-02 US disclosed
EP-1710239-A1 PROCESS FOR PRODUCING CHROMAN COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-10-11 EP disclosed
WO-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 WO disclosed
EP-0157652-A1 2-, 3- And 4-biphenyloxyaminoalkanes and related compounds, their preparation and uses, and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-10-09 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-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B TRPA1 4096/4885ATM 436/4885ALOX5 3296/4885
US-20070179304-A1 Process for producing chroman compound TAF9, TAF1, CHD1 TRPA1 1335/4885ATM 3330/4885ALOX5 224/4885

“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.