SCHEMBL1406728

SCHEMBL1406728

COc1ccc(-c2cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARG P13631 10/20 0.40
RARA P10276 8/20 0.40
RARB P10826 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
CYP26A1 O43174 2/20 0.36
CYP3A4 P08684 2/20 0.36
CRABP2 P29373 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
RXRA P19793 4/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL1406853 0.91 XDH (0.38) RARGRARARARBXDHSLC22A12
SCHEMBL1406790 0.89 RARB (0.38) RARGRARARARBCYP26A1CYP3A4
SCHEMBL1406633 0.89 RARB (0.36) RARGRARARARBCYP26A1CYP3A4
SCHEMBL1406519 0.89 XDH (0.40) RARGRARARARBXDHSLC22A12
SCHEMBL1406636 0.88 RXRA (0.39) RARGRARARARBSMN1; SMN2CYP26A1
SCHEMBL1406518 0.87 RARB (0.51) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6260318 0.81 RARB (0.50) RARGRARARARBCYP26A1CYP3A4
SCHEMBL1991598 0.81 RARB (0.50) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6159273 0.81 RARB (0.50) RARGRARARARBCYP26A1CYP3A4
SCHEMBL1406776 0.79 HDAC8 (0.33) RARGRARARARBCYP26A1CYP3A4

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 8 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

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 RARG 3/4885RARA 1/4885RARB 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.