SCHEMBL864810

SCHEMBL864810

O=Cc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.64
PTPN1 P18031 2/20 0.60
RAB9A P51151 1/20 0.55
PTPRC P08575 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPRB P23467 1/20 0.53
PTPN6 P29350 1/20 0.53
CDC25A P30304 1/20 0.53
PTPN11 Q06124 1/20 0.53
HMOX1 P09601 1/20 0.51
SPHK2 Q9NRA0 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
MAOA P21397 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
FFAR1 O14842 2/20 0.48
PPARG P37231 1/20 0.48

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
SCHEMBL11614936 0.86 RAB9A (0.69) MAOBPTPN1RAB9APTPN2PTPN11
SCHEMBL23223734 0.86 RAB9A (0.69) MAOBPTPN1RAB9APTPN2PTPN11
SCHEMBL6690271 0.86 RAB9A (0.54) MAOBPTPN1RAB9AMRGPRX4FFAR1
SCHEMBL18003515 0.85 MAOB (0.66) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL21331781 0.84 ALDH1A1 (0.53) MAOBPTPN1PPARG
SCHEMBL3997051 0.84 APP (0.64) MAOBPTPN1RAB9APTPRCPTPN2
SCHEMBL13581064 0.84 RAB9A (0.55) MAOBPTPN1RAB9APTPRCPTPN2
SCHEMBL13318234 0.82 FFAR1 (0.61) MAOBRAB9AMRGPRX4FFAR1PPARG
SCHEMBL18002407 0.82 MRGPRX4 (0.61) MAOBRAB9AMAOAMRGPRX4FFAR1
SCHEMBL17894399 0.82 MAOB (0.72) MAOBPTPN1RAB9APTPN2PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107151220-B Phenol compound containing benzyloxy phenyl, preparation method and application thereof 中国医学科学院药物研究所 2021-07-20 CN disclosed
US-9856252-B2 2-(hetero)aryl-benzimidazole and imidazopyridine derivatives as inhibitors of asparagime emethyl transferase CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-01-02 US disclosed
EP-2958898-B1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2017-07-19 EP disclosed
EP-2958898-B1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2017-07-19 EP disclosed
CN-103596960-B 6, 7-dihydroimidazo [2,1-B ] [1,3] oxazine fungicides 大塚制药株式会社 2016-11-16 CN disclosed
US-20160222005-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2016-08-04 US disclosed
US-20160222005-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2016-08-04 US disclosed
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 EP disclosed
EP-2958898-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE Cancer Therapeutics Crc Pty Limited (AU) 2015-12-30 EP disclosed
US-9223177-B2 Acrylate compound having photoreactive group, photoreactive acrylate polymer and photo-alignment layer comprising the same LG CHEM, LTD. (KR) 2015-12-29 US disclosed
WO-2012044020-A2 CYCLIC OLEFIN COMPOUND, PHOTOREACTIVE POLYMER AND ALIGNMENT LAYER COMPRISING THE SAME LG CHEM, LTD. (KR) 2012-04-05 WO disclosed
US-20120076954-A1 CYCLIC OLEFIN COMPOUND, PHOTOREACTIVE POLYMER, AND ALIGNMENT LAYER COMPRISING THE SAME LG CHEM, LTD. (KR) 2012-03-29 US disclosed
US-20120075560-A1 PHOTOREACTIVE POLYMER AND ALIGNMENT LAYER COMPRISING THE SAME LG CHEM, LTD. (KR) 2012-03-29 US disclosed
US-7977489-B2 Benzylthiazolone inhibitors of estrogen-related receptors (ERR) EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US disclosed
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP disclosed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 WO disclosed
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed
US-4220663-A Combating pests with benzyl phenyl ethers BAYER AKTIENGESELLSCHAFT (DE) 1980-09-02 US disclosed
US-4145439-A NEMATOCIDES, FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 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 (3 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-20120076954-A1 CYCLIC OLEFIN COMPOUND, PHOTOREACTIVE POLYMER, AND ALIGNMENT LAYER COMPRISING THE SAME MYB, CDK14, CCNL2 MAOB 3229/4885PTPN1 3937/4885RAB9A 1323/4885
US-20160222005-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE B2M, HBG2, BCAT2 MAOB 1214/4885PTPN1 3551/4885RAB9A 3598/4885
US-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 MAOB 2824/4885PTPN1 1203/4885RAB9A 3091/4885

“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.