SCHEMBL5048412

SCHEMBL5048412

CCOCOc1cc(B(O)O)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 2/20 0.33
RXRA P19793 1/20 0.33
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL6472243 0.84 RXRA (0.40) HNF4ARXRARARARARBRARG
SCHEMBL4948545 0.80 HNF4A (0.33) HNF4ARXRARARARARBRARG
SCHEMBL4943229 0.78 HNF4A (0.32) HNF4ARXRA
SCHEMBL19639459 0.72 PTGDR (0.44) RARARARBRARG
SCHEMBL5050687 0.68 CYP3A4 (0.47) HNF4ARXRARARARARBRARG
SCHEMBL19639512 0.66 RARA (0.43) RARARARBRARG
SCHEMBL6033027 0.66 RARG (0.43) RARARARBRARG
SCHEMBL4859743 0.65 RXRA (0.51) HNF4ARXRARARARARBRARG
SCHEMBL6032578 0.65 RARA (0.31) RARARARBRARGTP53CYP1A2
SCHEMBL3062968 0.65 FDPS (0.38) HNF4ARXRARARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US disclosed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 US disclosed
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG HNF4A 876/4885RXRA 4/4885RARA 1/4885

“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.