SCHEMBL4297646

SCHEMBL4297646

CCCCCCCCCCc1ccc(CN(C)C2CC(C(=O)O)(C(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46
RARB P10826 5/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
THRA P10827 5/20 0.45
THRB P10828 5/20 0.45
SPHK1 Q9NYA1 1/20 0.45
PLA2G1B P04054 4/20 0.43
ATG4B Q9Y4P1 4/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4295476 0.93 SPHK1 (0.44) ALDH1A1S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL4290826 0.92 SPHK1 (0.43) ALDH1A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4286874 0.91 S1PR1 (0.41) ALDH1A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4296065 0.87 SPHK1 (0.40) ALDH1A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4296545 0.87 SPHK1 (0.40) ALDH1A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4288723 0.86 THRA (0.42) ALDH1A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4289401 0.82 SPHK1 (0.42) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL4295706 0.81 THRA (0.47) ALDH1A1S1PR1S1PR3S1PR4S1PR5
SCHEMBL4293674 0.80 TSHR (0.36) S1PR1MEN1MAPTKMT2ATDP1
Hydrochloric Acid SCHEMBL4632549 0.80 SPHK1 (0.42) ALDH1A1S1PR1S1PR3S1PR4S1PR5

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 5 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
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO 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 ALDH1A1 1287/4885S1PR1 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.