SCHEMBL13401503

SCHEMBL13401503

CCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCC)NC(=O)COCCOC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 9/20 0.54
CES2 O00748 2/20 0.46
PLA2G2A P14555 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LPAR5 Q9H1C0 1/20 0.41
TLR2 O60603 1/20 0.41
USP2 O75604 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 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
SCHEMBL13401506 1.00 PLA2G2C (0.54) PLA2G2CCES2PLA2G2ACYP1A2CYP3A4
SCHEMBL13401494 1.00 PLA2G2C (0.54) PLA2G2CCES2PLA2G2ACYP1A2CYP3A4
SCHEMBL3491100 0.99 PLA2G2C (0.52) PLA2G2CCES2PLA2G2ACYP1A2CYP3A4
SCHEMBL3487265 0.99 PLA2G2C (0.52) PLA2G2CCES2PLA2G2ACYP1A2CYP3A4
SCHEMBL3487576 0.99 PLA2G2C (0.52) PLA2G2CCES2PLA2G2ACYP1A2CYP3A4
SCHEMBL3488133 0.99 PLA2G2C (0.52) PLA2G2CCES2PLA2G2ACYP1A2CYP3A4
SCHEMBL13401490 0.84 MAPT (0.48) PLA2G2CPLA2G2ALPAR5TLR2LPAR1
SCHEMBL13401487 0.84 MAPT (0.48) PLA2G2CPLA2G2ALPAR5TLR2LPAR1
SCHEMBL13401472 0.84 MAPT (0.48) PLA2G2CPLA2G2ALPAR5TLR2LPAR1
SCHEMBL102714 0.79 TLR2 (0.65) TLR2LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100104629-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-29 US disclosed
US-20100099738-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-22 US disclosed
US-20100076055-A1 Cationic Lipids and Uses Thereof ABBOTT LABORATORIES (US) 2010-03-25 US disclosed
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-19 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 (6 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-20100099738-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF LIPA, LIPG, LIPC PLA2G2C 1860/4885CES2 72/4885PLA2G2A 928/4885
US-20100104629-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 PLA2G2C 252/4885CES2 454/4885PLA2G2A 94/4885
US-20100076055-A1 Cationic Lipids and Uses Thereof LIPA, SGMS2, SGMS1 PLA2G2C 252/4885CES2 454/4885PLA2G2A 94/4885
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 PLA2G2C 252/4885CES2 454/4885PLA2G2A 94/4885
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 PLA2G2C 252/4885CES2 454/4885PLA2G2A 94/4885
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 PLA2G2C 252/4885CES2 454/4885PLA2G2A 94/4885

“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.