SCHEMBL786716

SCHEMBL786716

CC(=O)N/C(=C/c1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.57
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
HTT P42858 1/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
AKR1C1 Q04828 1/20 0.46
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
FBP1 P09467 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL388142 1.00 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL388143 1.00 AKR1C3 (0.57) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL387760 0.98 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRMEN1KMT2A
Methyl Alcohol SCHEMBL8740650 0.98 AKR1C3 (0.55) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL15085946 0.90 TP53 (0.56) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL5498513 0.89 MEN1 (0.46) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL12561790 0.89 RECQL (0.53) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL27415288 0.85 RAB9A (0.50) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL10739476 0.85 ALDH1A1 (0.52) AKR1C3ALDH1A1TSHRMEN1KMT2A
SCHEMBL10739481 0.85 ALDH1A1 (0.52) AKR1C3ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592552-B1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES DU PONT (US) 1997-05-28 EP claimed
US-5559267-A ENANTIOMORPHS, STEREOCHEMICAL CONTROL AND ASSYMETRIC INDUCTION, HYDROGENATION OF UNSATURATED ESTERS, COORDINATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 US claimed
EP-0592552-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES. DU PONT (US) 1994-04-20 EP claimed
WO-1993001199-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-21 WO claimed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20130035225-A1 ORGANIC/INORGANIC HYBRID CATALYTIC MATERIALS, THEIR PREPARATION, USE IN SELECTIVE PROCESSES AND REACTORS CONTAINING THEM NIPPON KODOSHI CORPORATION (JP) 2013-02-07 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US disclosed
EP-2223915-A1 Ionic liquid solvents Dublin City University (IE) 2010-09-01 EP disclosed
US-7763739-B2 bidentante optionally N-containing P-ligands embracing a two-ring-system; for transition metal complexes to be used as catalysts Evonik Degussa, GmbH (DE) 2010-07-27 US disclosed
EP-1568701-B1 TRANSITION METAL COMPLEX HAVING DIPHOSPHINE COMPLEX AS LIGAND TAKEDA PHARMACEUTICAL (JP) 2010-01-20 EP disclosed
US-7547694-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-16 US disclosed
US-20080306264-A1 bidentante optionally N-containing P-ligands embracing a two-ring-system; for transition metal complexes to be used as catalysts DEGUSSA AG (DE) 2008-12-11 US disclosed
EP-0408340-A2 Ruthenium-optically active phoshine complex useful as catalyst Takasago International Corporation (JP) 1991-01-16 EP disclosed
US-4654176-A Sulphonated chiral phosphines, their preparation and their use RHONE-POULENC SANTE (FR) 1987-03-31 US disclosed
US-4464306-A HYDROGENATION CATALYSTS, RHODIUM COMPOUNDS MONSANTO COMPANY (US) 1984-08-07 US disclosed
US-4376870-A USED AS HYDROGENATION CATALYSTS FOR OLEFINS MONSANTO COMPANY (US) 1983-03-15 US disclosed
US-4306082-A Optically active tertiary phosphine oxides and tertiary phosphines and processes for their preparation BASF AKTIENGESELLSCHAFT (DE) 1981-12-15 US disclosed
US-4010181-A BIS(PHOSPHINOMETHYL)CYCLOBUTANE RHODIUM COMPLEXES RHONE-POULENC S.A. (FR) 1977-03-01 US disclosed
US-3978101-A HYDROGENATION CATALYSTS RHONE-POULENC S.A. (FR) 1976-08-31 US disclosed
US-3949000-A COMPLEX FORMERS RHONE-POULENC S.A. (FR) 1976-04-06 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 (2 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-20080306264-A1 bidentante optionally N-containing P-ligands embracing a two-ring-system; for transition metal complexes to be used as catalysts CCNE2, NDUFS2, SOD1 AKR1C3 2047/4885ALDH1A1 1571/4885TSHR 4313/4885
US-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 AKR1C3 625/4885ALDH1A1 834/4885TSHR 4680/4885

“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.