SCHEMBL13655829

SCHEMBL13655829

CCCCCCCCCCCCC/C=C(\O)[C@@H](O)[C@@H](N)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.54
SPHK2 Q9NRA0 6/20 0.54
MAPT P10636 4/20 0.54
CYP2D6 P10635 4/20 0.54
CETP P11597 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GMNN O75496 3/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 3/20 0.54
BLM P54132 3/20 0.54
UBE2N P61088 3/20 0.54
GLA P06280 2/20 0.54
THRB P10828 2/20 0.54
MAPK1 P28482 2/20 0.54
CXCR5 P32302 2/20 0.54
CCR6 P51684 2/20 0.54
TP53 P04637 2/20 0.54
CYP1A2 P05177 2/20 0.54
THPO P40225 2/20 0.54

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
SCHEMBL1134639 1.00 SPHK1 (0.54) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL13685823 1.00 SPHK1 (0.54) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL28051143 1.00 SPHK1 (0.54) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL13571503 0.83 SPHK1 (0.54) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL13571502 0.83 SPHK1 (0.54) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL13571254 0.83 SPHK1 (0.54) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL7728491 0.83 SPHK1 (0.54) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL13571253 0.83 SPHK1 (0.54) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL3821504 0.78 EP300 (0.47) SPHK1SPHK2MAPTCYP2D6CETP
SCHEMBL26187567 0.71 EP300 (0.44) MAPTKMT2AGMNNLMNAPOLB

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-8357381-B2 Dispersions comprising acylglutamates COGNIS IP MANAGEMENT GMBH (DE) 2013-01-22 US disclosed
US-20090258043-A1 Dispersions Comprising Acylglutamates COGNIS IP MANAGEMENT GMBH (DE) 2009-10-15 US disclosed
US-20080166308-A1 Tanning Method MERCK PATENT GESELLSCHAFT (DE) 2008-07-10 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 (2 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-20090258043-A1 Dispersions Comprising Acylglutamates ACAT2, GATD3, GGCT SPHK1 3930/4885SPHK2 4113/4885MAPT 1643/4885
US-20080166308-A1 Tanning Method TES, TYR, CUTA SPHK1 3932/4885SPHK2 4354/4885MAPT 1759/4885

“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.