SCHEMBL6822746

SCHEMBL6822746

COc1cc(C(=O)CCC(=O)O)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.51
STING1 Q86WV6 2/20 0.51
TPMT P51580 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
HTT P42858 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TUBB4A P04350 1/20 0.47

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
SCHEMBL9828028 0.93 MEN1 (0.62) MAPK1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL6628602 0.90 POLB (0.61) MAPK1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL9829605 0.85 ALDH1A1 (0.51) MAPK1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL10790468 0.84 KMT2A (0.54) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL7837299 0.84 ALDH1A1 (0.61) MAPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9861846 0.84 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL10789209 0.84 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2127920 0.84 KMT2A (0.66) MAPK1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL10516595 0.83 ALDH1A1 (0.53) MAPK1POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL9284598 0.82 ALDH1A1 (0.55) MAPK1POLBSMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0812825-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-02-11 EP disclosed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed
US-6166257-A METAL COMPLEX OF AN OPTICALLY ACTIVE BIS(1-PHOSPHA-2,3-DIPHENYL-4,5-DIMETHYLNORBORNADIENE) RHODIA CHIMIE (FR) 2000-12-26 US disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0812825-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-17 EP disclosed
EP-0478147-B1 Process for producing optically active gamma-butyrolactone derivatives TAKASAGO PERFUMERY CO LTD (JP) 1996-11-06 EP disclosed
US-5420306-A Process for producing optically active γ-butyrolactone derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-05-30 US disclosed
EP-0478147-A1 Process for producing optically active gamma-butyrolactone derivatives Takasago International Corporation (JP) 1992-04-01 EP disclosed
US-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP disclosed
US-4374249-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-02-15 US disclosed
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US disclosed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 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-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR MAPK1 367/4885POLB 737/4885SMN1; SMN2 2347/4885

“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.