SCHEMBL860637

SCHEMBL860637

CC1(C)CCSc2ccc(C#Cc3ccc(CO)cn3)cc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.69
CYP26A1 O43174 2/20 0.69
RARA P10276 9/20 0.66
RARB P10826 9/20 0.66
RARG P13631 9/20 0.66
KMT2A Q03164 1/20 0.66
RXRA P19793 2/20 0.38
BACE1 P56817 4/20 0.35
BACE2 Q9Y5Z0 4/20 0.35
SSTR5 P35346 1/20 0.35
CRABP2 P29373 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ACACB O00763 2/20 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
SCHEMBL30374281 1.00 CYP3A4 (0.69) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8765953 0.92 CYP3A4 (0.67) CYP3A4CYP26A1RARARARBRARG
SCHEMBL6670285 0.88 CYP26A1 (0.73) CYP3A4CYP26A1RARARARBRARG
SCHEMBL17885757 0.84 CYP3A4 (0.71) CYP3A4CYP26A1RARARARBRARG
SCHEMBL9271106 0.84 RARB (0.49) CYP3A4CYP26A1RARARARBRARG
SCHEMBL180442 0.83 CYP3A4 (0.70) CYP3A4CYP26A1RARARARBRARG
SCHEMBL5485071 0.83 CYP3A4 (0.70) CYP3A4CYP26A1RARARARBRARG
SCHEMBL6665694 0.83 CYP3A4 (0.70) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8765958 0.82 CYP3A4 (0.68) CYP3A4CYP26A1RARARARBRARG
SCHEMBL14330777 0.82 CYP3A4 (0.84) CYP3A4CYP26A1RARARARBRARG

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018218242-A1 METHODS AND COMPOSITIONS FOR COMBINATION THERAPY EPICENTRX, INC. (US) 2018-11-29 WO claimed
US-9107844-B2 Topical skin treating compositions STIEFEL LABORATORIES INC. (US) 2015-08-18 US claimed
US-20120259014-A1 TOPICAL RETNOID SOLUTIONS RANBAXY LABORATORIES LIMITED (IN) 2012-10-11 US claimed
EP-2432453-A2 TOPICAL RETINOID SOLUTIONS Ranbaxy Laboratories Limited (IN) 2012-03-28 EP claimed
WO-2010134048-A2 TOPICAL RETINOID SOLUTIONS RANBAXY LABORATORIES LIMITED (IN) 2010-11-25 WO claimed
US-20090226380-A1 Topical Skin Treating Compositions STIEFEL LABORATORIES INC. 2009-09-10 US claimed
EP-1898896-A2 TOPICAL SKIN TREATING COMPOSITIONS STIEFEL LABORATORIES, INC. (US) 2008-03-19 EP claimed
WO-2007092312-A2 TOPICAL SKIN TREATING COMPOSITIONS STIEFEL LABORATORIES, INC. (US) 2007-08-16 WO claimed
WO-2007002831-A2 TOPICAL SKIN TREATING COMPOSTIONS STIEFEL LABORATORIES, INC. (US) 2007-01-04 WO claimed
US-20070003585-A1 Topical skin treating compositions STIEFEL LABORATORIES, INC. (US) 2007-01-04 US claimed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 US claimed
US-20260014134-A1 COMPOSITION FOR TOPICAL DERMATOLOGICAL DELIVERY DAVIS ADRIAN (GB) 2026-01-15 US disclosed
EP-4167959-B1 COMPOSITION FOR TOPICAL DERMATOLOGICAL DELIVERY LIMEWAY PHARMA DESIGN LTD (GB) 2024-08-28 EP disclosed
US-20230210835-A1 COMPOSITION FOR TOPICAL DERMATOLOGICAL DELIVERY LIMEWAY PHARMA DESIGN LTD (GB) 2023-07-06 US disclosed
EP-4167959-A1 COMPOSITION FOR TOPICAL DERMATOLOGICAL DELIVERY Limeway Pharma Design Limited (GB) 2023-04-26 EP disclosed
US-5380877-A Psoriasis treatment; retinoic acid-like activity ALLERGAN, INC. (US) 1995-01-10 US disclosed
US-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
US-5348972-A In treatment of skin disorders such as acne and psoriasis ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5234926-A Skin disorders ALLERGAN, INC. (US) 1993-08-10 US disclosed
US-5089509-A Disubstituted acetylenes bearing heteroaromatic and heterobicyclic groups having retinoid like activity ALLERGAN, INC. (US) 1992-02-18 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 (2 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-20260014134-A1 COMPOSITION FOR TOPICAL DERMATOLOGICAL DELIVERY LRBA, DNER, KRT18 CYP3A4 1969/4885CYP26A1 558/4885RARA 262/4885
US-20230210835-A1 COMPOSITION FOR TOPICAL DERMATOLOGICAL DELIVERY CUTA, SGMS1, CERS2 CYP3A4 1605/4885CYP26A1 568/4885RARA 153/4885

“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.