SCHEMBL4283559

SCHEMBL4283559

CC(C)C=CCCCCCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.40
SPHK1 Q9NYA1 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
CETP P11597 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GMNN O75496 2/20 0.40
GLA P06280 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 2/20 0.40
MAPK1 P28482 2/20 0.40
CXCR5 P32302 2/20 0.40
CCR6 P51684 2/20 0.40
BLM P54132 2/20 0.40
UBE2N P61088 2/20 0.40
CYP2D6 P10635 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4285836 1.00 SPHK2 (0.40) SPHK2SPHK1MEN1KMT2ALMNA
SCHEMBL4285842 1.00 SPHK2 (0.40) SPHK2SPHK1MEN1KMT2ALMNA
SCHEMBL4283555 1.00 SPHK2 (0.40) SPHK2SPHK1MEN1KMT2ALMNA
SCHEMBL4284691 1.00 SPHK2 (0.40) SPHK2SPHK1MEN1KMT2ALMNA
SCHEMBL4284696 1.00 SPHK2 (0.40) SPHK2SPHK1MEN1KMT2ALMNA
SCHEMBL4284074 0.98 SPHK2 (0.37) SPHK2SPHK1MEN1KMT2ALMNA
SCHEMBL4284078 0.98 SPHK2 (0.37) SPHK2SPHK1MEN1KMT2ALMNA
SCHEMBL4281835 0.90
SCHEMBL4281838 0.90
SCHEMBL18134583 0.79

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-8765809-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2014-07-01 US disclosed
US-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2013-02-28 US disclosed
US-8212068-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2012-07-03 US disclosed
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO. INC (JP) 2009-07-02 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-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, MEP1B SPHK2 2685/4885SPHK1 3038/4885MEN1 85/4885
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, F8 SPHK2 3396/4885SPHK1 3546/4885MEN1 29/4885

“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.