SCHEMBL1406468

SCHEMBL1406468

CC1(C)CCC(C)(C)c2c(N3CCN(CCC(=O)O)CC3)cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 4/20 0.34
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
RARA P10276 3/20 0.33
HTR1A P08908 2/20 0.32
CYP26A1 O43174 2/20 0.32
CYP3A4 P08684 2/20 0.32
CRABP2 P29373 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
CYP26B1 Q9NR63 1/20 0.30

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
SCHEMBL1406942 0.90 RARB (0.35) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406876 0.89 RARB (0.42) S1PR5RARBRARGRARACYP26A1
SCHEMBL1406906 0.87 RARB (0.38) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6421410 0.87 RARB (0.40) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406466 0.85 RARA (0.35) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6438580 0.84 RARA (0.38) RARBRARGRARA
SCHEMBL1407054 0.82 S1PR1 (0.34) S1PR5
SCHEMBL1406652 0.81 RARA (0.42) S1PR5RARBRARGRARAHTR1A
SCHEMBL1406651 0.81 RARA (0.42) S1PR5RARBRARGRARAHTR1A
SCHEMBL6422801 0.80 RARB (0.38) RARBRARGRARACYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP claimed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US claimed
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP disclosed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US disclosed
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 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 (1 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-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG S1PR5 1748/4885RARB 2/4885RARG 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.