SCHEMBL7102965

SCHEMBL7102965

COC(=O)C(=Cc1ccccc1)COC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AKR1C3 P42330 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MME P08473 2/20 0.40

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
SCHEMBL14652936 1.00 RECQL (0.53) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL7524000 1.00 RECQL (0.53) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL6301674 0.81 RECQL (0.49) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL6301677 0.81 RECQL (0.49) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL5284839 0.80 RECQL (0.54) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL1915837 0.80 RECQL (0.69) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL7524611 0.80 RECQL (0.54) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL16449689 0.80 RECQL (0.54) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL6307440 0.80 RECQL (0.54) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL1915838 0.80 RECQL (0.69) RECQLMEN1KMT2AAKR1C3CYP3A4

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 RECQL 4840/4885MEN1 2252/4885KMT2A 2504/4885

“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.