SCHEMBL655457

SCHEMBL655457

CC(Oc1ccc(N)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
GAA P10253 1/20 0.65
CYP2C9 P11712 1/20 0.65
PKM P14618 1/20 0.65
CYP2C19 P33261 1/20 0.65
TDP1 Q9NUW8 1/20 0.59
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAP4K4 O95819 2/20 0.48
TBXAS1 P24557 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL28584562 1.00 CYP1A2 (0.65) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11749709 0.94 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL47295 0.91 CYP1A2 (0.56) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4262556 0.89 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11519440 0.84 CYP1A2 (0.65) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL31147135 0.84 PARP10 (0.48) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL15652500 0.84 PARP10 (0.48) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL21881038 0.84 ALDH1A1 (0.46) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL8900988 0.83 CYP1A2 (0.69) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11550164 0.83 CYP1A2 (0.69) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 CN claimed
CN-112062671-A Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2020-12-11 CN claimed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 CN disclosed
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 CN disclosed
CN-112062671-A Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2020-12-11 CN disclosed
CN-112062671-A Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2020-12-11 CN disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
EP-0211326-B1 PRODUCTION OF GRAVURE INKS FOR ILLUSTRATIONS BAYER AG (DE) 1990-06-06 EP disclosed
US-4883901-A Synthesis of 2-(4-aminophenoxy)alkanoic acids and esters and their derivatives HOECHST CELANESE CORPORATION (US) 1989-11-28 US disclosed
EP-0334598-A2 Synthesis of 2-(4'aminophenoxy) alkanoic acids and esters and their derivatives HOECHST CELANESE CORPORATION (US) 1989-09-27 EP disclosed
US-4739042-A ESTERIFICATION OF AN HYDROXY PYRIDONE DYESTUFF WITH CARBOXYLIC PYRIDINE DYESTUFF BAYER AKTIENGESELLSCHAFT (DE) 1988-04-19 US disclosed
EP-0211325-A2 Method of making heliographic and flexographic printing inks BAYER AG (DE) 1987-02-25 EP disclosed
EP-0211326-A2 Production of gravure inks for illustrations BAYER AG (DE) 1987-02-25 EP disclosed
US-4053626-A CHOLESTEROL LEVEL-LOWERING PHENOXYACETIC ACIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-10-11 US disclosed
US-4026896-A ANTIALLERGENS KISSEI YAKUHIN KOGYO KABUSHIKI KAISHA (KISSEI PHARMACEUTICAL CO. LTD.) (JA) 1977-05-31 US disclosed
US-3992386-A 4(Quinolyl)phenoxy alkanoic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-11-16 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 (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-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CYP1A2 2143/4885GAA 2220/4885CYP2C9 3298/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CYP1A2 2143/4885GAA 2220/4885CYP2C9 3298/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CYP1A2 2143/4885GAA 2220/4885CYP2C9 3298/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CYP1A2 2143/4885GAA 2220/4885CYP2C9 3298/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CYP1A2 2143/4885GAA 2220/4885CYP2C9 3298/4885

“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.