SCHEMBL4295481

SCHEMBL4295481

CCCCCCCCCCc1ccc(CCNC2CCC(C(=O)O)(C(=O)O)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.48
HAO1 Q9UJM8 1/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SPHK2 Q9NRA0 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
SCHEMBL4294005 1.00 SPHK1 (0.48) SPHK1HAO1EPHX1EPHX2S1PR1
SCHEMBL4296871 0.91 S1PR1 (0.52) SPHK1HAO1EPHX1EPHX2S1PR1
SCHEMBL4290752 0.91 S1PR1 (0.52) SPHK1HAO1EPHX1EPHX2S1PR1
SCHEMBL4291859 0.91 S1PR1 (0.52) SPHK1HAO1EPHX1EPHX2S1PR1
SCHEMBL4296068 0.90 SPHK1 (0.43) SPHK1HAO1EPHX1EPHX2S1PR1
SCHEMBL4297651 0.90 SPHK1 (0.49) SPHK1HAO1EPHX1EPHX2S1PR1
Hydrochloric Acid SCHEMBL4295936 0.89 S1PR1 (0.51) SPHK1HAO1EPHX1EPHX2S1PR1
SCHEMBL4296078 0.87 RARB (0.53) SPHK1HAO1EPHX1EPHX2S1PR1
SCHEMBL4291433 0.85 S1PR1 (0.49) SPHK1HAO1EPHX1EPHX2S1PR1
SCHEMBL4288503 0.85 CNR1 (0.39) SPHK1EPHX1EPHX2

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 2 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

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 SPHK1 7/4885HAO1 2409/4885EPHX1 2640/4885

“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.