SCHEMBL4293946

SCHEMBL4293946

CCCCCCCc1ccc(-c2ccc(CN3CCC(C(=O)O)(C(=O)O)CC3)cc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.58
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.47
S1PR4 O95977 2/20 0.47
RARA P10276 2/20 0.47
RARG P13631 1/20 0.47
CHKA P35790 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MCHR1 Q99705 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5796299 0.92 RARB (0.50) RARBS1PR1S1PR3S1PR5S1PR4
SCHEMBL4287372 0.92 RARB (0.52) RARBS1PR1S1PR3S1PR5S1PR4
SCHEMBL5797072 0.84 S1PR1 (0.60) RARBS1PR1S1PR3S1PR5S1PR4
SCHEMBL4300178 0.84 S1PR1 (0.60) RARBS1PR1S1PR3S1PR5S1PR4
SCHEMBL4289421 0.84 S1PR1 (0.60) RARBS1PR1S1PR3S1PR5S1PR4
SCHEMBL4298783 0.84 S1PR1 (0.60) RARBS1PR1S1PR3S1PR5S1PR4
SCHEMBL27712596 0.78 SPHK1 (0.59) RARBS1PR1S1PR3S1PR5S1PR4
SCHEMBL4289251 0.77 RARB (0.57) RARBS1PR1S1PR3S1PR5S1PR4
SCHEMBL4287254 0.76 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4HRH3
SCHEMBL4296070 0.76 RARB (0.53) RARBS1PR1S1PR3S1PR5S1PR4

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 2651/4885S1PR1 2/4885S1PR3 4/4885

“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.