SCHEMBL6298069

SCHEMBL6298069

COCOC1CCC(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
RARA P10276 8/20 0.48
IKBKB O14920 1/20 0.48
RARB P10826 7/20 0.44
RARG P13631 7/20 0.44
XDH P47989 1/20 0.43
CYP26A1 O43174 2/20 0.41
PTPN1 P18031 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
STAT3 P40763 1/20 0.40
RXRA P19793 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
BLM P54132 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CXCL12 P48061 1/20 0.40
KDM4E B2RXH2 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
Benzoic Acid SCHEMBL8561398 0.85 RXRA (0.38) RARARARBRARGCYP26A1RXRA
SCHEMBL6294068 0.80 CYP3A4 (0.36) RARARARBRARGCYP26A1RXRA
SCHEMBL6292852 0.79 RARB (0.48) RARAIKBKBRARBRARGXDH
SCHEMBL4315169 0.75 RARB (0.75) RARARARBRARGCYP26A1RXRA
SCHEMBL4315172 0.75 RARB (0.75) RARARARBRARGCYP26A1RXRA
SCHEMBL6297184 0.74 RXRA (0.42) RARARARBRARGCYP26A1RXRA
SCHEMBL6297186 0.74 RXRA (0.42) RARARARBRARGCYP26A1RXRA
SCHEMBL4418785 0.71 RARB (0.63) RARARARBRARGXDHCYP26A1
SCHEMBL4418790 0.71 RARB (0.63) RARARARBRARGXDHCYP26A1
SCHEMBL8140469 0.71 CNR2 (0.40) RARARARBRARGCYP26A1RXRA

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 18 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
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 (5 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 RARA 2/4885IKBKB 865/4885RARB 1/4885
US-20020099038-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885IKBKB 928/4885RARB 1/4885
US-20010000511-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885IKBKB 928/4885RARB 1/4885
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885IKBKB 928/4885RARB 1/4885
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885IKBKB 865/4885RARB 1/4885

“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.