SCHEMBL6234031

SCHEMBL6234031

Cc1ccc(C2(O)CCC(C)(C)c3ccc(Br)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.37
CYP26A1 O43174 3/20 0.35
CYP26B1 Q9NR63 3/20 0.35
ALDH1A1 P00352 1/20 0.34
RXRB P28702 7/20 0.34
RXRG P48443 4/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
RARA P10276 1/20 0.32

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
SCHEMBL19343350 0.87 GABRA1 (0.43) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL6240236 0.79 RXRA (0.45) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL29945228 0.77 RXRA (0.44) RXRACYP26A1CYP26B1ALDH1A1RXRB
SCHEMBL1140723 0.77 RXRA (0.44) RXRACYP26A1CYP26B1ALDH1A1RXRB
SCHEMBL6086642 0.76 RXRA (0.39) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL14877472 0.74 ALDH1A1 (0.41) ALDH1A1MAPTGABRA1GABRB2APP
SCHEMBL6239341 0.73 RXRA (0.45) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL6087329 0.73 RXRA (0.39) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL6449415 0.72 RXRA (0.41) RXRACYP26A1CYP26B1RXRBRXRG
SCHEMBL6086569 0.72 RXRA (0.39) RXRACYP26A1CYP26B1ALDH1A1RXRB

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 22 patents — showing the first 20. 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-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
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
US-5952345-A RETINOID ACID RECEPTOR ANTAGONIST; A DERIVATIVES OF ARYL-SUBSTITUTED AND ARYL (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE; PREVENTING TOXICITY OR SIDE EFFECTS CAUSED BY RETINOIDS OR VITAMIN A ALLERGAN SALES, INC. (US) 1999-09-14 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
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US 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
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US 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 RXRA 1/4885CYP26A1 53/4885CYP26B1 98/4885
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG RXRA 1/4885CYP26A1 53/4885CYP26B1 98/4885

“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.