SCHEMBL6294068

SCHEMBL6294068

COCOC1CCC(C)(C)c2cc(C(C)=O)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.36
RXRA P19793 6/20 0.35
RXRB P28702 3/20 0.35
CYP26A1 O43174 4/20 0.34
RXRG P48443 2/20 0.34
CYP26B1 Q9NR63 1/20 0.34
RARB P10826 4/20 0.34
RARG P13631 4/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
RARA P10276 3/20 0.33

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
SCHEMBL8140469 0.89 CNR2 (0.40) CYP3A4RXRARXRBCYP26A1RXRG
Benzoic Acid SCHEMBL8561398 0.80 RXRA (0.38) CYP3A4RXRARXRBCYP26A1RXRG
SCHEMBL6298069 0.80 RARA (0.48) CYP3A4RXRACYP26A1RARBRARG
SCHEMBL8140468 0.80 RXRA (0.34) CYP3A4RXRARXRBCYP26A1RXRG
SCHEMBL6292729 0.77 RXRA (0.42) CYP3A4RXRARXRBCYP26A1RXRG
SCHEMBL6297184 0.74 RXRA (0.42) CYP3A4RXRARXRBCYP26A1RXRG
SCHEMBL6297186 0.74 RXRA (0.42) CYP3A4RXRARXRBCYP26A1RXRG
SCHEMBL6298153 0.73 RXRA (0.39) CYP3A4RXRARXRBCYP26A1RXRG
SCHEMBL6294069 0.71 RAB9A (0.43) CYP3A4RXRARXRBRXRGRARB
SCHEMBL6294070 0.71 RAB9A (0.43) CYP3A4RXRARXRBRXRGRARB

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 25 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 CYP3A4 934/4885RXRA 4/4885RXRB 3/4885
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB CYP3A4 721/4885RXRA 4/4885RXRB 3/4885
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB CYP3A4 934/4885RXRA 4/4885RXRB 3/4885
US-20020173631-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB CYP3A4 934/4885RXRA 4/4885RXRB 3/4885

“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.