SCHEMBL12313428

SCHEMBL12313428

CCCCCCCCP(CCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
EPHX2 P34913 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
NAAA Q02083 1/20 0.39
RECQL P46063 1/20 0.38
PTGS2 P35354 2/20 0.38
GHSR Q92847 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 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
SCHEMBL2922719 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL6288219 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL3813028 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL6288242 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL27765995 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL6288656 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL6288234 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL15659895 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL49664 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1
SCHEMBL6291671 0.83 DNM1 (0.40) HTTEPHX2NAAACES2CES1

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-8263794-B2 Process for the partial hydrogenation of fatty acid esters COGNIS IP MANAGEMENT GMBH (DE) 2012-09-11 US disclosed
US-20100022664-A1 Process for the partial hydrogenation of fatty acid esters COGNIS IP MANAGEMENT GMBH (DE) 2010-01-28 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-20100022664-A1 Process for the partial hydrogenation of fatty acid esters ELOVL3, LIPA, FFAR2 EPHX1 555/4885ALDH1A1 1587/4885HTT 2760/4885

“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.