SCHEMBL7101790

SCHEMBL7101790

O=C(O)/C(=C\c1ccccc1)CO

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
RECQL P46063 1/20 0.53
AKR1C3 P42330 1/20 0.52
AKR1C1 Q04828 1/20 0.50
MME P08473 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
OPRK1 P41145 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
GRIK1 P39086 1/20 0.41
MAPT P10636 1/20 0.41
PAM P19021 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5913037 1.00 CYP3A4 (0.66) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL261986 1.00 CYP3A4 (0.66) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL21051784 0.89 CYP2C9 (0.58) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL21051783 0.89 CYP2C9 (0.58) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL194183 0.83 CYP3A4 (0.52) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL22511016 0.83 RECQL (0.70) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL5698377 0.83 CYP3A4 (0.61) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL3183037 0.82 CYP3A4 (0.50) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL1274022 0.81 CYP3A4 (0.63) CYP3A4CYP2C9RECQLAKR1C3AKR1C1
SCHEMBL9068476 0.81 CYP3A4 (0.63) CYP3A4CYP2C9RECQLAKR1C3AKR1C1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937710-B1 Method for producing an optically active phenylpropionic acid derivative AJINOMOTO KK (JP) 2003-04-16 EP disclosed
EP-0906901-B1 Process for producing propionic acid derivatives AJINOMOTO KK (JP) 2002-03-27 EP disclosed
US-6339170-B2 CONDENSATION OF 2-HYDROXYMETHYL-3-PHENYLPROPIONIC ACID AND GLYCINE BENZYL ESTER, CONVERSION OF HYDROXYL GROUP TO ELIMINATION GROUP, SUBSTITUTION BY ACETYLTHIO GROUP; ENKEPHALIN AND ACETYLCHOLINESTERASE INHIBITORS AJINOMOTO CO., INC. (JP) 2002-01-15 US disclosed
US-20010014754-A1 Method for producing optically active phenylpropionic acid derivative AJINOMOTO CO., INC. (JP) 2001-08-16 US disclosed
US-6242635-B1 THROUGH SHORT SYNTHESIS ROUTE INDUSTRIALLY SAFE AND EASILY; USED IN PRODUCING OPTICALLY ACTIVE SUBSTANCE CONVERTIBLE INTO A LENIN INHIBITOR INTERMEDIATE, ENKEPHALINASE INHIBITOR, OR PROTEASE INHIBITOR AJINOMOTO CO., INC. (JP) 2001-06-05 US disclosed
US-6239305-B1 REACTING A N-ACYLAMINO ACID ESTER WITH A THIOACETIC ACID AJINOMOTO CO., INC. (JP) 2001-05-29 US disclosed
US-6031121-A Method for producing optically active phenylpropionic acid derivative AJINOMOTO CO., INC. (JP) 2000-02-29 US disclosed
EP-0937710-A1 Method for producing an optically active phenylpropionic acid derivative Ajinomoto Co., Inc. (JP) 1999-08-25 EP disclosed
EP-0906901-A2 Process for producing propionic acid derivatives Ajinomoto Co., Inc. (JP) 1999-04-07 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 (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-20010014754-A1 Method for producing optically active phenylpropionic acid derivative ACE, DNPEP, AGT CYP3A4 902/4885CYP2C9 1169/4885RECQL 4840/4885

“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.