SCHEMBL6292935

SCHEMBL6292935

COC(=O)c1ccc2c(c1)C(OS(=O)(=O)C(F)(F)F)=CCC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.45
RARA P10276 10/20 0.40
RARB P10826 9/20 0.40
RARG P13631 8/20 0.40
PTGS2 P35354 1/20 0.37
NOTUM Q6P988 2/20 0.36
RXRA P19793 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP26A1 O43174 1/20 0.35

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
SCHEMBL6810766 0.92 RARA (0.38) PDK2RARARARBRARGRXRA
SCHEMBL8664382 0.90 RARB (0.44) PDK2RARARARBRARGRXRA
SCHEMBL6810768 0.89 RARA (0.49) PDK2RARARARBRARGPTGS2
SCHEMBL6810772 0.89 RARA (0.49) PDK2RARARARBRARGPTGS2
SCHEMBL6818882 0.84 RARB (0.48) RARARARBRARGRXRANR2E1
SCHEMBL8981637 0.83 RARA (0.60) RARARARBRARGRXRANR2E1
SCHEMBL8433747 0.83 RARA (0.50) PDK2RARARARBRARG
SCHEMBL8771676 0.83 PDK2 (0.47) PDK2PTGS2NOTUMKDM4ESMN1; SMN2
SCHEMBL8682496 0.83 RARA (0.46) RARARARBRARGRXRANR2E1
SCHEMBL8682491 0.83 RARA (0.46) 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 26 patents — showing the first 20. 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-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
US-5808124-A BINDING TO RETINOID RECEPTORS ALLERGAN (US) 1998-09-15 US disclosed
US-5773594-A TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF OTHER RETINOIDS ALLERGAN (US) 1998-06-30 US disclosed
US-5763635-A Tetrahydronaphthalene derivatives substituted in the 8 position with alkyhidene groups having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-06-09 US disclosed
US-5747542-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1998-05-05 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US 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 (4 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 PDK2 2246/4885RARA 2/4885RARB 1/4885
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB PDK2 3751/4885RARA 2/4885RARB 1/4885
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB PDK2 2246/4885RARA 2/4885RARB 1/4885
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB PDK2 2246/4885RARA 2/4885RARB 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.