SCHEMBL22802433

SCHEMBL22802433

CCCCCCCCCCC(CCCCCCCCCC)CCOC(=O)COCCOCCCOC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
PLA2G2A P14555 3/20 0.39
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL22802530 1.00 CES2 (0.41) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802525 0.99 CES2 (0.41) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802478 0.99 CES2 (0.41) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802510 0.97 CES2 (0.41) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802515 0.97 CES2 (0.41) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802483 0.97 CES2 (0.42) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802454 0.97 CES2 (0.42) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802513 0.94 NAAA (0.40) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802482 0.94 NAAA (0.40) CES2PLA2G2ANAAADGKAZDHHC7
SCHEMBL22802527 0.93 NAAA (0.41) CES2PLA2G2ANAAADGKAZDHHC7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399197-A1 Glycol Ether Ester Compounds Useful In Lubricating Oil Compositions And Methods Of Making Same EXXONMOBIL RES & ENG CO (US) 2020-12-24 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-20200399197-A1 Glycol Ether Ester Compounds Useful In Lubricating Oil Compositions And Methods Of Making Same DEGS1, EBP, GK CES2 294/4885PLA2G2A 1162/4885NAAA 783/4885

“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.