SCHEMBL6236817

SCHEMBL6236817

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CCC3(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 0.49
RARA P10276 18/20 0.49
RARG P13631 17/20 0.49
CYP3A4 P08684 2/20 0.49
KMT2A Q03164 1/20 0.49
CYP26A1 O43174 1/20 0.47
CRABP2 P29373 1/20 0.47

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
SCHEMBL5737002 0.91 RARB (0.52) RARBRARARARGCYP3A4KMT2A
SCHEMBL7635706 0.88 RARB (0.67) RARBRARARARGCYP3A4KMT2A
SCHEMBL8772589 0.86 RARB (0.46) RARBRARARARGCYP3A4KMT2A
SCHEMBL8772525 0.86 RARB (0.47) RARBRARARARGCYP3A4KMT2A
SCHEMBL6234006 0.85 MAPT (0.50) RARBRARARARGCYP3A4KMT2A
SCHEMBL6234009 0.85 MAPT (0.50) RARBRARARARGCYP3A4KMT2A
SCHEMBL7641594 0.84 RARB (0.46) RARBRARARARGCYP3A4KMT2A
SCHEMBL7641598 0.84 RARB (0.46) RARBRARARARGCYP3A4KMT2A
SCHEMBL9484975 0.83 RARB (0.67) RARBRARARARGCYP3A4KMT2A
SCHEMBL7640552 0.83 RARB (0.67) RARBRARARARGCYP3A4CYP26A1

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 45 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-6369100-B1 Method for inhibiting gene expression promoted by AP1 protein with RARβ selective retinoids and method for treatment of diseases and conditions with such retinoids ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-5618943-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 US 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
US-5605915-A TREATING SKIN DISORDERS ALLERGAN 1997-02-25 US disclosed
US-5599967-A SKIN DISORDERS, VISION DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-02-04 US disclosed
US-5591858-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN 1997-01-07 US disclosed
WO-1996033716-A1 RARβ SELECTIVE RETINOID COMPOUNDS FOR INHIBITING GENE EXPRESSION PROMOTED BY AP1 PROTEIN AND THEIR USE IN THERAPY ALLERGAN (US) 1996-10-31 WO disclosed
US-5543534-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-08-06 US disclosed
WO-1996020930-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
US-5514825-A SYNTHETIC RETINOIDS ALLERGAN, INC. (US) 1996-05-07 US disclosed
US-5489584-A ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS; TREATING SKIN DISORDER, CARDIOVASCULAR DISORDER ALLERGAN, INC. (US) 1996-02-06 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 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.