SCHEMBL1785592

SCHEMBL1785592

Cc1cc(CO)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP1A2 P05177 3/20 0.59
ALDH1A1 P00352 8/20 0.52
TSHR P16473 4/20 0.52
HIF1A Q16665 4/20 0.52
MAPK1 P28482 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
BLM P54132 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GMNN O75496 1/20 0.52
GABBR2 O75899 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 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
SCHEMBL31193211 1.00 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL42656 0.87 ALDH1A1 (0.64) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL10821976 0.86 CYP2C9 (0.57) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL39353 0.86 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL29357192 0.86 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL8854338 0.86 CYP1A2 (0.61) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL30008257 0.86 CYP1A2 (0.61) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL3812731 0.85 CYP1A2 (0.55) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL9413678 0.84 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR
SCHEMBL8553511 0.84 CYP2C9 (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105505526-B Phosphate hydraulic fluid hydrolysis stability reinforcing agent and phosphate hydraulic fluid composition containing same 中国石油化工股份有限公司 2020-03-31 CN claimed
CN-105505526-A Phosphate hydraulic fluid hydrolysis stability reinforcing agent and phosphate hydraulic fluid composition containing same CHINA PETROLEUM & CHEM CORP 2016-04-20 CN claimed
EP-2662351-B1 Alkylated heterocyclic reaction products useful as antioxidants SI GROUP INC (US) 2016-03-30 EP claimed
US-8841479-B2 Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors EVONIK DEGUSSA GMBH (DE) 2014-09-23 US claimed
EP-2662351-A1 Alkylated heterocyclic reaction products useful as antioxidants Albemarle Corporation (US) 2013-11-13 EP claimed
CN-103274907-A Preparation method of hindered phenol antioxidant 2-methyl-4-hydroxymethyl-6-tert-butylphenol PETROCHINA CO LTD 2013-09-04 CN claimed
US-8410084-B2 Alkylated heterocyclic reaction products useful as antioxidants ALBEMARLE CORPORATION (US) 2013-04-02 US claimed
EP-2367864-B1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2012-10-03 EP claimed
US-20110251424-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2011-10-13 US claimed
EP-2367864-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS Evonik Degussa GmbH (DE) 2011-09-28 EP claimed
WO-2010072439-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2010-07-01 WO claimed
US-4173541-A ANITOXIDANTS CINCINNATI MILACRON CHEMICALS INC. (US) 1979-11-06 US claimed
JP-59124945-A None JP disclosed
EP-3257858-B1 PHOSPHOROUS ACID COMPOUND, METHOD FOR PRODUCING SAID COMPOUND, AND USE OF SAID COMPOUND SUMITOMO CHEMICAL CO (JP) 2020-08-26 EP disclosed
CN-105505526-B Phosphate hydraulic fluid hydrolysis stability reinforcing agent and phosphate hydraulic fluid composition containing same 中国石油化工股份有限公司 2020-03-31 CN disclosed
US-10385240-B2 Acrylate-terminated urethane polybutadienes from low-monomer 1:1 monoadducts from reactive olefinic compounds and diisocyanates and hydroxy-terminated polybutadienes for liquid optically clear adhesives (LOCAs) EVONIK DEGUSSA GMBH (DE) 2019-08-20 US disclosed
EP-0065289-A1 Process for the synthesis of trialkyl-tris(3,5-dialkyl-4-hydroxybenzyl) benzene ETHYL CORPORATION (US) 1982-11-24 EP disclosed
US-4340767-A AND A CARBOXYLIC ACID IN THE REACTION MEDIUM OF A TRIALKYLBENZENE AND 3,5-DIALKYL-4-HYDROXY BENZYL ALCOHOL ETHYL CORPORATION (US) 1982-07-20 US disclosed
US-4265876-A 3-PHENOXYBENZYL 2,2-DIMETHYL-3-(2,2-DIHALOVINYL) CYCLOPROPYL CARBOXYLATE PESTICIDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1981-05-05 US disclosed
US-4173541-A ANITOXIDANTS CINCINNATI MILACRON CHEMICALS INC. (US) 1979-11-06 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-20110251424-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS CYP1B1, HCFC1, DIMT1 CYP2C9 283/4885CYP2C19 400/4885CYP1A2 159/4885

“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.