SCHEMBL6292852

SCHEMBL6292852

CC(C)C1CCC(C)(C)c2cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.48
RARG P13631 10/20 0.48
RARA P10276 9/20 0.48
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP7 P55210 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP26A1 O43174 2/20 0.45
PTPN1 P18031 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
STAT3 P40763 1/20 0.44
RXRA P19793 5/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL6292968 0.82 RARB (0.62) RARBRARGRARATP53CYP3A4
SCHEMBL4315169 0.79 RARB (0.75) RARBRARGRARATP53CYP3A4
SCHEMBL4315172 0.79 RARB (0.75) RARBRARGRARATP53CYP3A4
SCHEMBL6298069 0.79 RARA (0.48) RARBRARGRARATP53CYP3A4
SCHEMBL8566205 0.78 NPC1 (0.33) RARBRARGRARACYP3A4SMN1; SMN2
SCHEMBL6298153 0.78 RXRA (0.39) RARBRARGRARATP53CYP3A4
SCHEMBL6294271 0.75 RXRA (0.49) RARBRARGRARACYP3A4CYP26A1
SCHEMBL4418785 0.74 RARB (0.63) RARBRARGRARATP53CYP3A4
SCHEMBL4418790 0.74 RARB (0.63) RARBRARGRARATP53CYP3A4
SCHEMBL1406260 0.74 RARB (0.46) RARBRARGRARATP53CYP3A4

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-6855832-B2 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. (US) 2005-02-15 US disclosed
US-6818775-B2 TREATMENT OF SKIN-RELATED DISEASES OR PREVENTION OF CERTAIN UNDESIRED SIDE EFFECTS OF ADMINISTERED RETINOIDS ALLERGAN, INC. 2004-11-16 US disclosed
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity JOHNSON ALAN T (US) 2004-07-01 US disclosed
EP-0915825-B1 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-05-06 EP disclosed
US-6720425-B2 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2004-04-13 US disclosed
US-6653483-B1 Skin, neurodegenerative and cardiovascular disorders; anticarcinogenic, antiinflammatory, and antiproliferative agents ALLERGAN, INC. 2003-11-25 US disclosed
US-20030187235-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2003-10-02 US disclosed
US-6555690-B2 4-((5,5-dimethyl-5,6,7,8-tetrahydro-8-hydroxynaphthalen-2 -yl)carbonyloxy)benzoic acid, benzyl ester for example; receptor subtype selectivity for side effect reduction ALLERGAN, INC. 2003-04-29 US disclosed
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2003-04-24 US disclosed
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2002-11-21 US disclosed
US-6465663-B2 ETHYL (E)-4-(2-(5,6-DIHYDRO-5,5-DIMETHYL-NAPHTHALEN-8(7H)-ONE-2 -YL)ETHENYL)BENZOATE AND ETHYL (E)-4-(2-(5,6-DIHYDRO-5,5-DIMETHYL-8-(PHENYLTHIO)-NAPHTHALENYL)ETHENYL) BENZOATE ALLERGAN, INC. 2002-10-15 US disclosed
US-20020099038-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2002-07-25 US disclosed
US-6344561-B2 TREATMENT OF SKIN DISORDERS, INFLAMMATION, NERVE SYSTEM DISORDERS, CANCER ALLERGAN SALES, INC. 2002-02-05 US disclosed
US-20010000511-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2001-04-26 US disclosed
US-6187933-B1 BIND TO RETINOID RECEPTORS; TREATING SKIN DISORDERS ALLERGAN SALES, INC. 2001-02-13 US disclosed
US-6117987-A ANIMAL GROWTH REGULATOR; SKIN DISORDERS; ANTIINFLAMMATORY AGENTS ALLERGAN SALES, INC. (US) 2000-09-12 US disclosed
US-6051731-A TREATING SKIN DISORDERS, CANCERS, EYE DISORDERS, CARDIOVASCULAR DISORDERS, ELIMINATE OR REDUCE SIDE EFFECTS OF RETINOIDS, OR TO TREAT RETINOID OR VITAMIN A OVERDOSE OR POISONING ALLERGAN SALES, INC. (US) 2000-04-18 US disclosed
US-5998655-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN, INC. 1999-12-07 US disclosed
EP-0915825-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 1999-05-19 EP disclosed
WO-1997048672-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1997-12-24 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 (6 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-20030187235-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARB 1/4885RARG 5/4885RARA 2/4885
US-20020099038-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARB 1/4885RARG 5/4885RARA 2/4885
US-20010000511-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARB 1/4885RARG 5/4885RARA 2/4885
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARB 1/4885RARG 5/4885RARA 2/4885
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARB 1/4885RARG 5/4885RARA 2/4885
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARB 1/4885RARG 5/4885RARA 2/4885

“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.