SCHEMBL12425798

SCHEMBL12425798

Cc1cc2c(cc1C(=O)c1ccc(B(O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.72
RXRB P28702 7/20 0.72
RXRG P48443 7/20 0.72
RARA P10276 4/20 0.72
RARB P10826 4/20 0.72
RARG P13631 4/20 0.72
MEN1 O00255 1/20 0.53
CYP26A1 O43174 1/20 0.53
ABCB11 O95342 1/20 0.53
ESR1 P03372 1/20 0.53
PGR P06401 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53

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
SCHEMBL12181011 0.89 RXRA (0.88) RXRARXRBRXRGRARARARB
SCHEMBL5540253 0.85 RXRA (0.80) RXRARXRBRXRGRARARARB
SCHEMBL726140 0.84 RXRA (1.00) RXRARXRBRXRGRARARARB
SCHEMBL292500 0.84 RXRA (0.83) RXRARXRBRXRGRARARARB
SCHEMBL30054740 0.84 RXRA (1.00) RXRARXRBRXRGRARARARB
SCHEMBL4915388 0.83 RXRA (0.68) RXRARXRBRXRGRARARARB
SCHEMBL4009257 0.82 RXRA (0.76) RXRARXRBRXRGRARARARB
SCHEMBL4910483 0.82 RXRA (0.76) RXRARXRBRXRGRARARARB
SCHEMBL14068170 0.82 RXRA (0.55) RXRARXRBRXRGRARARARB
SCHEMBL14068140 0.82 RXRA (0.69) RXRARXRBRXRGRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160338981-A1 THERAPEUTIC METHODS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-11-24 US disclosed
US-20160338981-A1 THERAPEUTIC METHODS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-11-24 US disclosed
EP-2536276-B1 NOVEL BEXAROTENE ANALOGS UNIV ARIZONA (US) 2016-11-23 EP disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
WO-2015109318-A2 THERAPEUTIC METHODS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-07-23 WO disclosed
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-12-06 US disclosed
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-12-06 US disclosed
WO-2011103321-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-08-25 WO disclosed
US-20080234229-A1 Novel Therapeutic Agents for the Treatment of Cancer, Metabolic Diseases and Skin Disorders AUSPEX PHARMACEUTICALS, INC. (US) 2008-09-25 US disclosed
US-20080234229-A1 Novel Therapeutic Agents for the Treatment of Cancer, Metabolic Diseases and Skin Disorders AUSPEX PHARMACEUTICALS, INC. (US) 2008-09-25 US disclosed
WO-2007022437-A2 THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER AND METABOLIC DISORDERS AUSPEX PHARMACEUTICALS, INC. (US) 2007-02-22 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-20080234229-A1 Novel Therapeutic Agents for the Treatment of Cancer, Metabolic Diseases and Skin Disorders IGF1R, INSR, BRCA1 RXRA 494/4885RXRB 487/4885RXRG 526/4885
US-20160338981-A1 THERAPEUTIC METHODS RXRG, RXRB, RXRA RXRA 3/4885RXRB 2/4885RXRG 1/4885
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS TBXA2R, ENPP2, CXCL8 RXRA 14/4885RXRB 7/4885RXRG 15/4885

“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.