SCHEMBL2832203

SCHEMBL2832203

CC(C)C(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 5/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
RXFP1 Q9HBX9 1/20 0.58
NPSR1 Q6W5P4 2/20 0.54
HPGD P15428 2/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MLYCD O95822 1/20 0.53
CYP2C9 P11712 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL14358738 0.86 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL14358741 0.86 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL18880072 0.85 ALDH1A1 (0.73) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL2706148 0.80 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL2165479 0.80 PSEN1 (0.53) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL12095779 0.80 PSEN1 (0.53) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL2165476 0.80 PSEN1 (0.53) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11338210 0.79 CA1 (0.53) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11742987 0.78 KMT2A (0.59) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL178429 0.78 MAPT (0.71) ALDH1A1MAPTKMT2AMEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) NAGOYA CITY UNIVERSITY (JP) 2013-08-08 US disclosed
US-8445516-B2 Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-05-21 US disclosed
EP-1228087-B1 ANTIBODY CATALYSIS OF ENANTIO- AND DIASTEREO-SELECTIVE ALDOL REACTIONS SCRIPPS RESEARCH INST (US) 2010-06-09 EP disclosed
US-7666658-B1 Antibody catalysis of enantio- and diastereo-selective aldol reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-23 US disclosed
US-7666658-B1 Antibody catalysis of enantio- and diastereo-selective aldol reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-23 US disclosed
US-7666658-B1 Antibody catalysis of enantio- and diastereo-selective aldol reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2010-02-23 US disclosed
US-20090187025-A1 Pharmaceutical composition for promoting angiogenesis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-23 US disclosed
EP-1708705-B1 USE OF PIPERIDINE DERIVATIVES FOR PROMOTING ANGIOGENESIS OTSUKA PHARMA CO LTD (JP) 2009-02-18 EP disclosed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
US-7262193-B2 Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
US-6589766-B1 Use to catalyze ketone-ketone, ketone-aldehyde, aldehyde-ketone, and aldehyde-aldehyde intermolecular aldol reactions, and in some cases to catalyze their subsequent dehydration to yield aldol condensation products THE SCRIPPS RESEARCH INSTITUTE 2003-07-08 US disclosed
EP-1228087-A1 ANTIBODY CATALYSIS OF ENANTIO- AND DIASTEREO-SELECTIVE ALDOL REACTIONS The Scripps Research Institute (US) 2002-08-07 EP disclosed
US-6326176-B1 ALDOL CONDENSATIONS AND CATALYTIC ANTIBODIES THE SCRIPPS RESEARCH INSTITUTE 2001-12-04 US disclosed
US-6309881-B2 ALDEHYDE AND KETONE REACTANTS ARE CONTACTED WITH ANTIBODY MOLECULES OR MOLECULES CONTAINING ANTIBODY COMBINING SITE PORTIONS THAT CATALYZE AN ALDOL ADDITION REACTION THE SCRIPPS RESEARCH INSTITUTE 2001-10-30 US disclosed
US-20010018201-A1 Antibody catalysis of enantio- and diastereo-selective aldol reactions BARBAS CARLOS F (US) 2001-08-30 US disclosed
WO-2001027145-A1 ANTIBODY CATALYSIS OF ENANTIO- AND DIASTEREO-SELECTIVE ALDOL REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2001-04-19 WO disclosed
US-6210938-B1 CONTACTING ALDEHYDE AND KETONE REACTANTS WITH CATALYTIC ANTIBODIES PRODUCED BY IMMUNIZING SUBJECT WITH STERILE SOLUTION OF ALDOL TRANSITION STATE IMMUNOCONJUGATE INCLUDING A SULFONE BETA-DIKETONE HAPTEN THE SCRIPPS RESEARCH INSTITUTE 2001-04-03 US disclosed
EP-1038018-A1 ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES The Scripps Research Institute (US) 2000-09-27 EP disclosed
WO-1999031263-A1 ALDOL CONDENSATIONS BY CATALYTIC ANTIBODIES THE SCRIPPS RESEARCH INSTITUTE (US) 1999-06-24 WO 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 (3 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-20090187025-A1 Pharmaceutical composition for promoting angiogenesis FLT1, FLT4, KDR ALDH1A1 246/4885MAPT 4708/4885KMT2A 3216/4885
US-20010018201-A1 Antibody catalysis of enantio- and diastereo-selective aldol reactions ALDOA, DERA, ADH1C ALDH1A1 63/4885MAPT 1346/4885KMT2A 3321/4885
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) RCOR1, MSI2, RCOR3 ALDH1A1 2604/4885MAPT 2932/4885KMT2A 912/4885

“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.