SCHEMBL4058786

SCHEMBL4058786

CC(O)(C(=O)O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2C9 P11712 2/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
ESRRG P62508 1/20 0.39
CYP1A2 P05177 2/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
PTGS1 P23219 2/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL11837441 0.94 CYP2C9 (0.46) CYP2D6HIF1ACYP2C9EPHX2MAPT
SCHEMBL7866065 0.80 TSHR (0.48) CYP2D6HIF1ACYP2C9MAPTALDH1A1
SCHEMBL637766 0.80 ESR1 (0.52) CYP2D6HIF1ACYP2C9ALDH1A1HPGD
SCHEMBL30927966 0.80 TSHR (0.48) CYP2D6HIF1ACYP2C9MAPTALDH1A1
SCHEMBL284962 0.80 ESR1 (0.52) CYP2D6HIF1ACYP2C9ALDH1A1HPGD
SCHEMBL5172480 0.80 ESR1 (0.52) CYP2D6HIF1ACYP2C9ALDH1A1HPGD
SCHEMBL262460 0.80 MAPT (0.48) CYP2D6HIF1ACYP2C9EPHX2MAPT
SCHEMBL197251 0.79 MAPT (0.52) CYP2D6HIF1ACYP2C9MAPTALDH1A1
SCHEMBL21557850 0.79 MAPT (0.52) CYP2D6HIF1ACYP2C9MAPTALDH1A1
SCHEMBL4326795 0.79 MAPT (0.52) CYP2D6HIF1ACYP2C9MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291417-B1 NOVEL (R)-2-HYDROXY-3-PHENYLPROPIONATE (D-PHENYLLACTATE) DEHYDROGENASE AND GENE ENCODING THE SAME MEIJI SEIKA KAISHA (JP) 2007-02-21 EP claimed
CN-1254536-C Novel(R)-2-hydroxy-3-phenylpropionate (D-phenyllactate) dehydrogenase and gene encoding the same MEIJI SEIKA KAISHA (JP) 2006-05-03 CN claimed
CN-102264360-A Methods of preventing or reducing colon carcinogenesis 2011-11-30 CN disclosed
EP-1380649-B1 TRANSFORMANT PRODUCING PF1022 SUBSTANCE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND NOVEL BIOSYNTHESIS GENE MEIJI SEIKA KAISHA (JP) 2009-10-21 EP disclosed
US-7432102-B2 Transformants producing substance pf1022 derivatives, methods for producing the same, and novel biosynthesis genes MEIJI SEIKA KAISHA, LTD. (JP) 2008-10-07 US disclosed
EP-1291417-B1 NOVEL (R)-2-HYDROXY-3-PHENYLPROPIONATE (D-PHENYLLACTATE) DEHYDROGENASE AND GENE ENCODING THE SAME MEIJI SEIKA KAISHA (JP) 2007-02-21 EP disclosed
US-7109018-B1 Transformant producing secondary metabolite modified with functional group and novel biosynthesis genes MEIJI SEIKA KAISHA, LTD. (JP) 2006-09-19 US disclosed
CN-1254536-C Novel(R)-2-hydroxy-3-phenylpropionate (D-phenyllactate) dehydrogenase and gene encoding the same MEIJI SEIKA KAISHA (JP) 2006-05-03 CN disclosed
US-6916641-B2 (R)-2-hydroxy-3-phenylpropionate (d-phenyllactate) dehydrogenase and gene encoding the same MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-12 US disclosed
US-20040214274-A1 Transformants producing substance pf1022 derivatives, methods for producing the same, and novel biosynthesis genes MEIJI SEIKA KAISHA, LTD. (JP) 2004-10-28 US disclosed
EP-1380649-A1 TRANSFORMANT PRODUCING PF1022 SUBSTANCE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND NOVEL BIOSYNTHESIS GENE MEIJI SEIKA KAISHA LTD. (JP) 2004-01-14 EP disclosed
CN-1437651-A Novel(R)-2-hydroxy-3-phenylpropionate (D-phenyllactate) dehydrogenase and gene encoding the same MEIJI SEIKA KAISHA (JP) 2003-08-20 CN disclosed
CN-1113101-C Process for the preparation of substituted aryl lactic acid containing cyclodepsipeptides with 24 ring atoms BAYER AG (DE) 2003-07-02 CN disclosed
EP-1291417-A1 NOVEL (R)-2-HYDROXY-3-PHENYLPROPIONATE (D-PHENYLLACTATE) DEHYDROGENASE AND GENE ENCODING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2003-03-12 EP disclosed
EP-1223215-A1 TRANSFORMANT PRODUCING SECONDARY METABOLITE MODIFIED WITH FUNCTIONAL GROUP AND NOVEL BIOSYNTHESIS GENES MEIJI SEIKA KAISHA LTD. (JP) 2002-07-17 EP disclosed
US-6033879-A Process for the preparation of substituted aryl lactic acid containing cyclodepsipeptides with 24 ring atoms BAYER AKTIENGESELLSCHAFT (DE) 2000-03-07 US disclosed
CN-1208439-A Process for the preparation of substituted aryl lactic acid containing cyclodepsipeptides with 24 ring atoms BAYER AG (DE) 1999-02-17 CN disclosed
EP-0816316-A1 PROCESS FOR PRODUCING 1,2-ETHANEDIOL DERIVATIVES NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-01-07 EP disclosed
EP-0153763-A2 Affinity chromatography matrix with built-in reaction indicator J.T. Baker Inc. (US) 1985-09-04 EP disclosed
US-4523997-A Affinity chromatography matrix with built-in reaction indicator J. T. BAKER CHEMICAL COMPANY (US) 1985-06-18 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-20040214274-A1 Transformants producing substance pf1022 derivatives, methods for producing the same, and novel biosynthesis genes GFPT1, FDPS, PSAT1 CYP2D6 628/4885HIF1A 2336/4885CYP2C9 669/4885

“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.