SCHEMBL6236441

SCHEMBL6236441

Cc1ccc(C2=CCC(C)(C)c3ccc(C(=O)Oc4ccc(C(=O)OCC[Si](C)(C)C)cc4)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARB P10826 18/20 0.49
RARA P10276 16/20 0.49
RARG P13631 15/20 0.49
RXRA P19793 1/20 0.40
NR2E1 Q9Y466 1/20 0.40

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
SCHEMBL6236820 0.89 RARB (0.54) RARBRARARARGRXRANR2E1
SCHEMBL6239659 0.84 RARB (0.68) RARBRARARARGRXRANR2E1
SCHEMBL6293049 0.83 RARA (0.73) RARBRARARARGRXRANR2E1
SCHEMBL7137215 0.82 RARB (0.50) RARBRARARARGRXRANR2E1
SCHEMBL6298025 0.79 RARA (0.46) RARBRARARARGRXRANR2E1
SCHEMBL8331936 0.78 RARB (0.61) RARBRARARARGRXRANR2E1
SCHEMBL3903109 0.78 RARB (0.42) RARBRARARARGRXRANR2E1
SCHEMBL3903112 0.78 RARB (0.42) RARBRARARARGRXRANR2E1
SCHEMBL6237683 0.76 RARB (0.62) RARBRARARARGRXRANR2E1
SCHEMBL7635590 0.76 RARB (0.55) RARBRARARARGRXRANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6942980-B1 Methods of identifying compounds having nuclear receptor negative hormone and/or antagonist activities ALLERGAN, INC. (US) 2005-09-13 US disclosed
EP-1535919-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Allergan, Inc. (US) 2005-06-01 EP disclosed
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
US-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities KLEIN ELLIOTT S (US) 2003-11-27 US disclosed
EP-0931786-B1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN INC (US) 2003-08-06 EP disclosed
EP-0853610-B1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES INC (US) 2003-03-05 EP disclosed
US-6521624-B1 Prevention or amelioration of toxicity or undesired side effect caused by a retinoid compound ALLERGAN, INC. 2003-02-18 US disclosed
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN, INC. 2002-10-24 US disclosed
US-6469028-B1 ARYL-SUBSTITUTED AND ARYL AND (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE, AND 5,6-DIHYDRONAPHTHALENE DERIVATIVES ALLERGAN, INC. 2002-10-22 US disclosed
US-6228848-B1 3-(1-PROPEN-3-OXO)-5,6-DIHYDRONAPHTHALENE DERIVATIVES; SIDE EFFECT REDUCTION ALLERGAN, INC. 2001-05-08 US disclosed
US-6218128-B1 DRUG SCREENING FOR INVERSE AGONIST BY MONITORING BINDING OF TWO POLYPEPTIDES HAVING SPECIFIC DOMAINS IN PRESENCE OF TEST COMPOUND ALLERGAN SALES, INC. 2001-04-17 US disclosed
EP-1042313-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY Allergan Sales, Inc. (US) 2000-10-11 EP disclosed
US-6090810-A SIDE EFFECT REDUCTION ALLERGAN SALES, INC. (US) 2000-07-18 US disclosed
EP-0991636-A1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES Allergan Sales, Inc. (US) 2000-04-12 EP disclosed
US-6008204-A ANTIDOTES FOR PREVENTING CERTAIN UNDESIRED SIDE EFFECTS OF RETINOIDS ALLERGAN SALES, INC. (US) 1999-12-28 US disclosed
EP-0931786-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Vision Pharmaceuticals L.P. (US) 1999-07-28 EP disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed
WO-1998058922-A1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES, INC. (US) 1998-12-30 WO disclosed
EP-0853610-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES Allergan (US) 1998-07-22 EP disclosed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 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 (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-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG RARB 7/4885RARA 2/4885RARG 4/4885
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG RARB 7/4885RARA 2/4885RARG 4/4885

“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.