SCHEMBL3233993

SCHEMBL3233993

Cc1cc2c(cc1/C=C(\Br)C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.64
RARG P13631 6/20 0.64
RARA P10276 5/20 0.64
RXRA P19793 18/20 0.56
RXRB P28702 9/20 0.56
RXRG P48443 9/20 0.56
MEN1 O00255 1/20 0.54
CYP26A1 O43174 1/20 0.54
ABCB11 O95342 1/20 0.54
ESR1 P03372 1/20 0.54
PGR P06401 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54

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
SCHEMBL3234003 1.00 RARB (0.64) RARBRARGRARARXRARXRB
SCHEMBL7931985 0.79 RARB (0.62) RARBRARGRARARXRARXRB
SCHEMBL10841477 0.78 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL156460 0.78 RARB (1.00) RARBRARGRARARXRARXRB
Hydrochloric Acid SCHEMBL4432609 0.77 RARB (0.97) RARBRARGRARARXRARXRB
SCHEMBL727923 0.74 RARB (0.70) RARBRARGRARARXRARXRB
SCHEMBL7023945 0.73 RARB (0.55) RARBRARGRARARXRARXRB
SCHEMBL30054740 0.73 RXRA (1.00) RARBRARGRARARXRARXRB
SCHEMBL726140 0.73 RXRA (1.00) RARBRARGRARARXRARXRB
SCHEMBL9319026 0.72 RXRA (0.77) RARBRARGRARARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157260-A1 IDENTIFICATION OF COMPOUNDS THAT REGULATE APOPTOSIS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-06-20 US disclosed
US-8273705-B2 Conversion of apoptotic proteins THE BURNHAM INSTITUTE (US) 2012-09-25 US disclosed
US-20100292145-A1 METHODS OF REGULATING APOPTOSIS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2010-11-18 US disclosed
US-7745574-B2 Compounds that regulate apoptosis THE BURNHAM INSTITUTE (US) 2010-06-29 US disclosed
WO-2008154207-A9 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-04-22 WO disclosed
US-20090215984-A1 CONVERSION OF APOPTOTIC PROTEINS THE BURNHAM INSTITUTE (US) 2009-08-27 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-7491700-B2 Conversion of apoptotic proteins THE BURNHAM INSTITUTE (US) 2009-02-17 US disclosed
WO-2008154207-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
US-20070117753-A1 CONVERSION OF APOPTOTIC PROTEINS THE BURNHAM INSTITUTE (US) 2007-05-24 US disclosed
US-20070054863-A1 Compounds that regulate apoptosis NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 US disclosed
US-7176277-B2 Conversion of apoptotic proteins THE BURNHAM INSTITUTE (US) 2007-02-13 US disclosed
WO-2006124537-A1 COMPOUNDS THAT REGULATE APOPTOSIS THE BURNHAM INSTITUTE (US) 2006-11-23 WO disclosed
US-20060193864-A1 Conversion of apoptotic proteins NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-08-31 US disclosed
US-6994979-B2 Conversion of apoptotic proteins THE BURNHAM INSTITUTE (US) 2006-02-07 US disclosed
US-20040220097-A1 Conversion of apoptotic proteins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-04 US disclosed
WO-2004052920-A9 CONVERSION OF APOPTOTIC PROTEINS BURNHAM INST (US) 2004-08-19 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 (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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD RARB 1796/4885RARG 2219/4885RARA 2968/4885

“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.