SCHEMBL3242004

SCHEMBL3242004

O=C(O)c1cc2ccc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)cc2cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.69
RARG P13631 10/20 0.69
RARA P10276 8/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
TP53 P04637 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
ALOX12 P18054 1/20 0.69
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69
THRB P10828 1/20 0.61
RECQL P46063 1/20 0.61
NR2E1 Q9Y466 1/20 0.61
PTPN11 Q06124 3/20 0.52

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
SCHEMBL29802235 1.00 RARB (0.69) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357288 0.82 RARG (1.00) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357074 0.82 RARG (1.00) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29727107 0.82 RARG (1.00) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL174205 0.82 RARG (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL8657238 0.80 MEN1 (0.76) RARBRARGRARAMEN1KMT2A
SCHEMBL27425286 0.79 MEN1 (0.67) RARBRARGRARAMEN1KMT2A
SCHEMBL7049678 0.79 RARB (0.65) RARBRARGRARAMEN1KMT2A
SCHEMBL2406628 0.78 RARB (0.60) RARBRARGRARAMEN1KMT2A
SCHEMBL6454889 0.78 RARB (0.70) RARBRARGRARAMEN1KMT2A

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 18 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
WO-2004052920-A2 CONVERSION OF APOPTOTIC PROTEINS THE BURNHAM INSTITUTE (US) 2004-06-24 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 (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.