SCHEMBL1406853

SCHEMBL1406853

Cc1ccc(-c2cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.38
RARG P13631 7/20 0.38
RARB P10826 7/20 0.38
RARA P10276 4/20 0.38
CYP26A1 O43174 2/20 0.38
CYP3A4 P08684 2/20 0.38
CRABP2 P29373 1/20 0.38
RXRA P19793 10/20 0.35
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CYP26B1 Q9NR63 1/20 0.33
HNF4A P41235 1/20 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
SCHEMBL1406728 0.91 RARG (0.40) XDHRARGRARBRARACYP26A1
SCHEMBL1406790 0.91 RARB (0.38) RARGRARBRARACYP26A1CYP3A4
SCHEMBL1406633 0.90 RARB (0.36) RARGRARBRARACYP26A1CYP3A4
SCHEMBL1406519 0.90 XDH (0.40) XDHRARGRARBRARACYP26A1
SCHEMBL1406636 0.90 RXRA (0.39) RARGRARBRARACYP26A1CYP3A4
SCHEMBL1406616 0.87 RARG (0.50) RARGRARBRARACYP26A1CYP3A4
SCHEMBL6422797 0.86 RARA (0.39) XDHRARGRARBRARARXRA
SCHEMBL6422789 0.86 RARA (0.39) XDHRARGRARBRARARXRA
SCHEMBL5047184 0.83 PLK1 (0.35) RARGRARBRARACYP26A1CYP3A4
SCHEMBL5050716 0.83 CYP26A1 (0.34) XDHRARGRARBRARACYP26A1

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 10 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-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 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-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 claimed
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 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 XDH 819/4885RARG 3/4885RARB 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.