SCHEMBL13435205

SCHEMBL13435205

CCCCCCCCCCCCCCCCCCOCC(CCNC(=O)COCCOC)OCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 12/20 0.50
LPAR1 Q92633 4/20 0.47
LPAR3 Q9UBY5 4/20 0.47
LPAR2 Q9HBW0 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
CES2 O00748 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 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
SCHEMBL13404585 1.00 TLR2 (0.50) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL13404564 1.00 TLR2 (0.50) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL13404560 1.00 TLR2 (0.50) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL13404592 1.00 TLR2 (0.50) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL13404590 1.00 TLR2 (0.50) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL13404593 1.00 TLR2 (0.50) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL13404562 1.00 TLR2 (0.50) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL3243421 0.99 TLR2 (0.49) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL3243545 0.99 TLR2 (0.49) TLR2LPAR1LPAR3LPAR2PLA2G2C
SCHEMBL3243426 0.99 TLR2 (0.49) TLR2LPAR1LPAR3LPAR2PLA2G2C

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-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-11 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100063135-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF LIPA, LIPG, LIPC TLR2 428/4885LPAR1 154/4885LPAR3 169/4885
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 TLR2 390/4885LPAR1 153/4885LPAR3 88/4885
US-20100055169-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 TLR2 390/4885LPAR1 153/4885LPAR3 88/4885

“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.