SCHEMBL1406524

SCHEMBL1406524

CC1(C)CCC(C)(C)c2c(-c3ccncc3)cc(C(=O)/C=C/c3ccc(C(=O)O)c(O)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.42
P4HB P07237 1/20 0.41
RARB P10826 5/20 0.40
RARA P10276 4/20 0.40
RARG P13631 4/20 0.40
CYP26A1 O43174 2/20 0.40
APP P05067 2/20 0.37
PTPN1 P18031 1/20 0.37
CYP1A2 P05177 5/20 0.37
CYP2D6 P10635 5/20 0.37
CYP1A1 P04798 4/20 0.37
CYP1B1 Q16678 4/20 0.37
GSK3B P49841 1/20 0.37
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1406526 1.00 RXRA (0.42) RXRAP4HBRARBRARARARG
SCHEMBL1406563 0.90 RXRA (0.45) RXRARARBRARARARGCYP26A1
SCHEMBL1406565 0.90 RXRA (0.45) RXRARARBRARARARGCYP26A1
SCHEMBL1406660 0.88 APP (0.48) APPNPC1ALDH1A1LMNATP53
SCHEMBL1406663 0.88 APP (0.48) APPNPC1ALDH1A1LMNATP53
SCHEMBL1406478 0.88 RARB (0.52) RXRAP4HBRARBRARARARG
SCHEMBL1406830 0.87 TP53 (0.41) RXRARARBRARARARGCYP26A1
SCHEMBL1406425 0.87 MAOB (0.46) RXRANPC1ALDH1A1LMNAPOLB
SCHEMBL1406824 0.87 TP53 (0.41) RXRARARBRARARARGCYP26A1
SCHEMBL1406426 0.87 MAOB (0.46) RXRANPC1ALDH1A1LMNAPOLB

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 3 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

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 RXRA 4/4885P4HB 2986/4885RARB 2/4885

“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.