SCHEMBL6528854

SCHEMBL6528854

CC1(C)CCC(C)(C)c2cc(SS)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.53
RXRB P28702 12/20 0.53
RXRG P48443 8/20 0.53
RARB P10826 7/20 0.53
RARG P13631 7/20 0.53
CYP26A1 O43174 4/20 0.49
RARA P10276 5/20 0.39
CYP3A4 P08684 2/20 0.38
CYP26B1 Q9NR63 2/20 0.38
CRABP2 P29373 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
SCHEMBL15617210 0.83 RXRA (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL17914352 0.82 RXRA (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL20277839 0.80 RXRA (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL7560489 0.77 RXRA (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL7759680 0.76 RXRA (0.69) RXRARXRBRXRGRARBRARG
SCHEMBL5359574 0.72 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL7561241 0.72 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL17916279 0.72 CYP26A1 (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL17916345 0.72 CYP26A1 (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL1615553 0.70 RXRA (0.46) RXRARXRBRXRGRARBRARG

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed
US-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed
EP-2874999-B1 NOVEL SELECTIVE COMPOUNDS INHIBITING CYP26A1 USEFUL IN COSMETIC AND PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2016-08-24 EP disclosed
US-9408793-B2 Selective compounds inhibiting CYP26A1 useful in cosmetic and pharmaceutical compositions GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-08-09 US disclosed
US-20160200703-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIVERSITY OF MONTANA (US) 2016-07-14 US disclosed
US-20150190323-A1 SELECTIVE COMPOUNDS INHIBITING CYP26A1 USEFUL IN COSMETIC AND PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-07-09 US disclosed
EP-2874999-A1 NOVEL SELECTIVE COMPOUNDS INHIBITING CYP26A1 USEFUL IN COSMETIC AND PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2015-05-27 EP disclosed
WO-2014016507-A1 NOVEL SELECTIVE COMPOUNDS INHIBITING CYP26A1 USEFUL IN COSMETIC AND PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-01-30 WO disclosed
US-6921777-B2 Heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-26 US disclosed
US-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-01-16 US disclosed
US-6444709-B1 SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2002-09-03 US 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 (3 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-20160200703-A1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE CYP2B6, CYP26A1, CYP2A6 RXRA 15/4885RXRB 12/4885RXRG 18/4885
US-20030012803-A1 Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them TYR, CYP1B1, MITF RXRA 935/4885RXRB 836/4885RXRG 663/4885
US-20150190323-A1 SELECTIVE COMPOUNDS INHIBITING CYP26A1 USEFUL IN COSMETIC AND PHARMACEUTICAL COMPOSITIONS CYP26A1, CYP21A2, CYP26B1 RXRA 233/4885RXRB 242/4885RXRG 222/4885

“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.