SCHEMBL4296409

SCHEMBL4296409

CCCCCCCc1ccc(-c2ccc(CN(C3CC3)C3CCC(C(=O)O)(C(=O)O)C3)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.52
RARA P10276 2/20 0.42
RARG P13631 1/20 0.42
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
SPHK1 Q9NYA1 1/20 0.35
APP P05067 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4296070 0.91 RARB (0.53) RARBRARARARGTHRATHRB
SCHEMBL4290012 0.91 RARB (0.47) RARBRARARARGTHRATHRB
SCHEMBL4295706 0.87 THRA (0.47) RARBRARATHRATHRBMEN1
SCHEMBL4293736 0.80 RARB (0.53) RARBRARARARGMEN1ALDH1A1
SCHEMBL4293953 0.80 RARB (0.53) RARBRARARARGMEN1ALDH1A1
SCHEMBL4296078 0.79 RARB (0.53) RARBRARARARGMEN1ALDH1A1
SCHEMBL5800037 0.77 RARB (0.49) RARBRARARARGMEN1ALDH1A1
SCHEMBL4295476 0.76 SPHK1 (0.44) RARBRARATHRATHRBMEN1
SCHEMBL13659715 0.76 SPHK1 (0.44) RARBRARATHRATHRBMEN1
SCHEMBL4288500 0.76 RARB (0.37) RARBRARARARGTHRATHRB

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-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
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 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.