SCHEMBL6294047

SCHEMBL6294047

C/C(=C\CO)c1ccc2c(c1)C(O)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 13/20 0.38
RARA P10276 12/20 0.38
RXRA P19793 12/20 0.38
RARB P10826 11/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP26A1 O43174 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL6950912 0.80 RXRA (0.56) RARGRARARXRARARBKDM4E
SCHEMBL6257239 0.80 RXRA (0.56) RARGRARARXRARARBKDM4E
SCHEMBL6950903 0.80 RXRA (0.56) RARGRARARXRARARBKDM4E
SCHEMBL6222356 0.73 RARG (0.49) RARGRARARXRARARBKDM4E
SCHEMBL8559846 0.73 RARA (0.40) RARGRARARXRARARBCYP26A1
SCHEMBL6223570 0.72 RARG (0.40) RARGRARARXRARARBKDM4E
Bromide SCHEMBL9064204 0.71 RXRA (0.53) RARGRARARXRARARBKDM4E
Bromide SCHEMBL9064208 0.71 RXRA (0.53) RARGRARARXRARARBKDM4E
SCHEMBL7567213 0.70 RARA (0.61) RARGRARARXRARARBKDM4E
SCHEMBL7573942 0.70 RARG (0.61) RARGRARARXRARARBKDM4E

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 RARG 5/4885RARA 2/4885RXRA 4/4885
US-20020099038-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARG 5/4885RARA 2/4885RXRA 4/4885
US-20010000511-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARG 5/4885RARA 2/4885RXRA 4/4885
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARG 5/4885RARA 2/4885RXRA 4/4885
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARG 5/4885RARA 2/4885RXRA 4/4885
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARG 5/4885RARA 2/4885RXRA 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.