SCHEMBL6234039

SCHEMBL6234039

CC1(C)CC=C(c2ccccc2)c2ccc(C(=O)C=Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 15/20 0.71
RARB P10826 15/20 0.71
RARG P13631 14/20 0.71
RXRA P19793 1/20 0.71
NR2E1 Q9Y466 1/20 0.71
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45

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
SCHEMBL6234034 1.00 RARA (0.71) RARARARBRARGRXRANR2E1
SCHEMBL4510443 0.92 RARB (0.60) RARARARBRARGRXRANR2E1
SCHEMBL4510438 0.92 RARB (0.60) RARARARBRARGRXRANR2E1
SCHEMBL27509813 0.88 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL8327936 0.85 RARB (0.54) RARARARBRARGRXRANR2E1
SCHEMBL8327932 0.85 RARB (0.54) RARARARBRARGRXRANR2E1
SCHEMBL6293847 0.85 RARA (0.59) RARARARBRARGRXRANR2E1
SCHEMBL6293846 0.85 RARA (0.59) RARARARBRARGRXRANR2E1
SCHEMBL27464662 0.85 RARA (0.52) RARARARBRARGRXRANR2E1
SCHEMBL29613352 0.83 RARA (1.00) RARARARBRARGRXRANR2E1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931786-B1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN INC (US) 2003-08-06 EP claimed
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN, INC. 2002-10-24 US claimed
US-6008204-A ANTIDOTES FOR PREVENTING CERTAIN UNDESIRED SIDE EFFECTS OF RETINOIDS ALLERGAN SALES, INC. (US) 1999-12-28 US claimed
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 claimed
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
CN-1142928-C Synthesis and use of retinoid compounds having negative hormone and/or antagonist activity �ո��� 2004-03-24 CN 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
CN-1121379-C Synthesis and use of retinoid having negative hormone and/or antagonist activity ALLERGAN CO (US) 2003-09-17 CN 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-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

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 RARA 2/4885RARB 7/4885RARG 4/4885
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG RARA 2/4885RARB 7/4885RARG 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.