SCHEMBL6901737

SCHEMBL6901737

COC(=O)c1cccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.61
RXRB P28702 8/20 0.61
RXRG P48443 8/20 0.61
RARA P10276 4/20 0.61
RARB P10826 4/20 0.61
RARG P13631 4/20 0.61
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MEN1 O00255 1/20 0.49
CYP26A1 O43174 1/20 0.49
ABCB11 O95342 1/20 0.49

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
SCHEMBL3982018 0.89 RXRA (0.72) RXRARXRBRXRGRARARARB
SCHEMBL7897711 0.88 RXRA (0.63) RXRARXRBRXRGRARARARB
SCHEMBL12427196 0.86 RXRA (0.63) RXRARXRBRXRGRARARARB
SCHEMBL7899482 0.85 RXRA (0.61) RXRARXRBRXRGRARARARB
SCHEMBL6906197 0.85 RXRA (0.79) RXRARXRBRXRGRARARARB
SCHEMBL24055013 0.85 RXRA (0.65) RXRARXRBRXRGRARARARB
SCHEMBL20398874 0.84 RXRA (0.60) RXRARXRBRXRGRARARARB
SCHEMBL292500 0.82 RXRA (0.83) RXRARXRBRXRGRARARARB
SCHEMBL12181011 0.82 RXRA (0.88) RXRARXRBRXRGRARARARB
SCHEMBL6902488 0.82 RXRA (0.57) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20040162354-A1 Treatment of disease states which result from neoplastic cell proliferation using PPAR-gamma activators and compositions useful therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2004-08-19 US disclosed
US-6646008-B1 Administering peroxisome proliferator activated receptor(PPAR) and retinoid acid receptor agonists such as 6-(1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl) nicotinic acid, for prophylaxis of tumors THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2003-11-11 US disclosed
US-6586455-B1 Administering retinoid and peroxisome proliferator-activated receptors to improve cell proliferation and differentiation of adipocytes; prophylaxis of cancer THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2003-07-01 US disclosed
EP-1048659-A1 RETINOID RECEPTOR AGONISTS Institute of Medicinal Molecular Design, Inc. (JP) 2000-11-02 EP 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-20040162354-A1 Treatment of disease states which result from neoplastic cell proliferation using PPAR-gamma activators and compositions useful therefor PPARA, PPARG, PPARD RXRA 6/4885RXRB 5/4885RXRG 4/4885
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.