SCHEMBL4293953

SCHEMBL4293953

CCCCCCCCc1ccc(-c2ccc(CNC3CCC(C(=O)O)(C(=O)O)C3)cc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.53
RARA P10276 2/20 0.43
RARG P13631 1/20 0.43
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
PLK1 P53350 2/20 0.38
SPHK1 Q9NYA1 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
FAAH O00519 1/20 0.36
PTGS2 P35354 1/20 0.36
PLK3 Q9H4B4 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
SCHEMBL4293736 1.00 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL5800037 0.96 RARB (0.49) RARBRARARARGS1PR1S1PR3
SCHEMBL4292142 0.95 RARB (0.50) RARBRARARARGS1PR1S1PR3
SCHEMBL4289251 0.92 RARB (0.57) RARBRARARARGS1PR1S1PR3
SCHEMBL4295383 0.92 RARB (0.48) RARBRARARARGS1PR1S1PR3
SCHEMBL4296078 0.92 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL5800500 0.92 RARB (0.56) RARBRARARARGS1PR1S1PR3
SCHEMBL5800043 0.90 RARB (0.45) RARBRARARARGS1PR1S1PR3
SCHEMBL4296127 0.89 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL4296871 0.86 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5PLK1

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
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 RARB 2651/4885RARA 2689/4885RARG 2866/4885

“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.