SCHEMBL286718

SCHEMBL286718

Cc1ccc(C(=O)O)c(C)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAAO P46952 1/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOTUM Q6P988 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 2/20 0.39
MCL1 Q07820 1/20 0.39
SORT1 Q99523 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL27577439 0.84 CYP1A2 (0.44) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL3980826 0.83 CYP1A2 (0.42) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL11285953 0.83 NCEH1 (0.44) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL28131931 0.81 KDM4E (0.53) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL27770760 0.81 CYP1A2 (0.41) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL12544237 0.81 SIRT3 (0.41) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2059304 0.81 CSNK2A1 (0.48) CYP1A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29370019 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL242262 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL28033212 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431969-B A kind of method for preparing 2- methyl -4- formaldoxime yl benzoic acid methyl esters 荆门医药工业技术研究院 2018-07-06 CN claimed
CN-106431969-A Method for preparing 2-methyl-4-formaldoxime methyl benzoate 荆门医药工业技术研究院 2017-02-22 CN claimed
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2019-05-21 US disclosed
CN-106431969-B A kind of method for preparing 2- methyl -4- formaldoxime yl benzoic acid methyl esters 荆门医药工业技术研究院 2018-07-06 CN disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 US disclosed
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. 2017-05-25 US disclosed
CN-106431969-A Method for preparing 2-methyl-4-formaldoxime methyl benzoate 荆门医药工业技术研究院 2017-02-22 CN disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
CN-1193000-C Biphenyl derivatives substituted by an aromatic or heteroaromatic radical and pharmaceutical and cometic compositions containing same GALDERMA RES & DEV I (FR) 2005-03-16 CN disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
US-6800444-B1 USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed
CN-1236354-A Aryl-or heteroaryl-substituted biphenyl derivatives and pharmaceutical and cosmetic compositions containing them GALDERMA RES & DEV (FR) 1999-11-24 CN disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO 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-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 HAAO 2032/4885CYP1A2 2753/4885ALDH1A1 1159/4885
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators RYR2, RYR1, ADRA2C HAAO 1947/4885CYP1A2 213/4885ALDH1A1 655/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 HAAO 1919/4885CYP1A2 183/4885ALDH1A1 607/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 HAAO 1485/4885CYP1A2 3016/4885ALDH1A1 3733/4885
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 HAAO 2032/4885CYP1A2 2753/4885ALDH1A1 1159/4885

“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.