SCHEMBL3960595

SCHEMBL3960595

Cc1cc(O)cc(CC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
GPR84 Q9NQS5 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
OPRM1 P35372 1/20 0.37
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 2/20 0.33
PTGS2 P35354 2/20 0.33
LMNA P02545 1/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
ALOX5 P09917 1/20 0.33
RARB P10826 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRB3 P13945 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL4968027 0.86 GABRA1 (0.48) ALDH1A1GABRA1GABRB2GPR84OPRM1
SCHEMBL6442439 0.86 GABRA1 (0.48) GABRA1GABRB2GPR84ACHETAAR1
SCHEMBL16962399 0.84 NOS2 (0.43) GABRA1GABRB2NOS3NOS1NOS2
SCHEMBL5739348 0.84 NOS3 (0.43) ALDH1A1GABRA1GABRB2NOS3NOS1
Phenol SCHEMBL28225282 0.80 GABRA1 (0.42) GABRA1GABRB2OPRM1ACHETAAR1
SCHEMBL5164582 0.78 GABRA1 (0.42) GABRA1GABRB2GPR84OPRM1ACHE
SCHEMBL25146577 0.77 AKR1C2 (0.48) ALDH1A1GABRA1GABRB2GPR84TAAR1
SCHEMBL5166193 0.77 GABRA1 (0.41) GABRA1GABRB2GPR84OPRM1PTGS2
SCHEMBL30899188 0.77 ALDH1A1 (0.60) ALDH1A1HCAR1ACHEPTGS2ESR1
SCHEMBL29215628 0.77 ALDH1A1 (0.60) ALDH1A1HCAR1ACHEPTGS2ESR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-20140336106-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-11-13 US disclosed
CN-101817713-B Preparation method of 2, 2'-biphenyl diphenol and derivatives thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2013-06-12 CN disclosed
CN-101817713-A Preparation method of 2, 2'-biphenyl diphenol and derivatives thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2010-09-01 CN disclosed
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
EP-1633691-B1 METHOD FOR PRODUCING 2,2'-DIHYDROXY-BIPHENYLS BASF AG (DE) 2007-04-11 EP disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
EP-1682473-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF Aktiengesellschaft (DE) 2006-07-26 EP disclosed
CN-1802339-A Method for producing 2,2'-dihydroxy-biphenyls BASF AG (DE) 2006-07-12 CN disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN disclosed
EP-1633691-A1 METHOD FOR PRODUCING 2,2'-DIHYDROXY-BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2006-03-15 EP disclosed
WO-2005042454-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2004108642-A1 METHOD FOR PRODUCING 2,2'-DIHYDROXY-BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 WO disclosed
WO-2004069779-A1 METHOD FOR PRODUCING 2,2'-DIHYDROXYBIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2004-08-19 WO disclosed
US-4368299-A MOLDING MATERIALS, LAMINATION, PAINTS, ADHESIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-01-11 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 (4 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-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI ALDH1A1 1163/4885GABRA1 2466/4885GABRB2 2320/4885
US-20070129578-A1 Method for the production of 2,2'-dihydroxybiphenyls HAO2, DAO, DDO ALDH1A1 1084/4885GABRA1 1782/4885GABRB2 1341/4885
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP ALDH1A1 1694/4885GABRA1 3586/4885GABRB2 3344/4885
US-20140336106-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP ALDH1A1 1694/4885GABRA1 3586/4885GABRB2 3344/4885

“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.