SCHEMBL5048768

SCHEMBL5048768

CC(C)(C)Cc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.53
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 1/20 0.49
RIPK1 Q13546 1/20 0.46
CLCN2 P51788 1/20 0.45
HIF1A Q16665 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
SMN1; SMN2 Q16637 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
Benzoic Acid SCHEMBL11156159 0.93 TSHR (0.56) FOLH1ALDH1A1ALOX15TSHRRIPK1
SCHEMBL9498502 0.89 AKR1C3 (0.48) FOLH1ALDH1A1ALOX15CYP2C9HTT
SCHEMBL29280960 0.88 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL28750589 0.85 FOLH1 (0.50) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL9954558 0.83 FOLH1 (0.57) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL6906894 0.83 FOLH1 (0.44) FOLH1ALDH1A1ALOX15TSHRRIPK1
SCHEMBL28434886 0.83 FOLH1 (0.49) FOLH1ALDH1A1ALOX15TSHRCLCN2
SCHEMBL25056676 0.82 RIPK1 (0.41) FOLH1ALDH1A1ALOX15TSHRRIPK1
SCHEMBL13508575 0.82 KDM4E (0.45) ALDH1A1TSHRRIPK1HTTKDM4E
SCHEMBL29818200 0.82 KDM4E (0.45) ALDH1A1TSHRRIPK1HTTKDM4E

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
EP-3517555-B1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2024-11-27 EP claimed
EP-3517553-B1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2023-11-08 EP claimed
EP-0613677-B1 Nail enamels containing triol or glycol esters REVLON CONSUMER PROD CORP (US) 2001-07-04 EP claimed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
US-11643657-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2023-05-09 US disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
US-9309233-B2 Compositions and methods for the treatment of blood clotting disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-04-12 US disclosed
US-20150119436-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BLOOD CLOTTING DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 US disclosed
US-8796256-B2 Substituted thiazolidinedione indazoles, indoles and benzotriazoles as estrogen-related receptor-α modulators JANSSEN PHARMACEUTICA NV (BE) 2014-08-05 US disclosed
CN-101972672-B S-acylation L-cysteine and application of salt thereof as catalyst for asymmetrical organic synthesis reaction CHONGQING YIPAIYIN CHEMICAL INDUSTRY PRODUCTS CO LTD 2013-01-02 CN disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
CN-101972672-A S-acylation L-cysteine and application of salt thereof as catalyst for asymmetrical organic synthesis reaction CHONGQING YIPAIYIN CHEMICAL PRODUCTS CO LTD 2011-02-16 CN disclosed
US-20080108760-A1 Active Energy Curable Ink Composition for Multicoat Printing MATSUI CHEMICAL CO., LTD. (JP) 2008-05-08 US disclosed
EP-1762600-A1 ACTINIC-ENERGY-RAY-CURABLE INK COMPOSITION FOR OVERPRINTING Matsui Chemical Co., Ltd. (JP) 2007-03-14 EP disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 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 (5 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-20150119436-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BLOOD CLOTTING DISORDERS F2, F12, F5 FOLH1 644/4885ALDH1A1 953/4885ALOX15 1697/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 FOLH1 1658/4885ALDH1A1 2867/4885ALOX15 2726/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA FOLH1 3323/4885ALDH1A1 2148/4885ALOX15 1472/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 FOLH1 3152/4885ALDH1A1 359/4885ALOX15 490/4885
US-11643657-B2 Chiral control RNGTT, POLI, NSUN3 FOLH1 1658/4885ALDH1A1 2867/4885ALOX15 2726/4885

“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.