SCHEMBL1613621

SCHEMBL1613621

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CC(C[N+](C)(C)C)OP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 1/20 0.60
PRKCQ Q04759 1/20 0.60
PRKCD Q05655 1/20 0.60
PRKCA P17252 1/20 0.60
ENPP2 Q13822 4/20 0.59
SLC6A5 Q9Y345 1/20 0.59
SELP P16109 1/20 0.56
LPAR1 Q92633 9/20 0.56
LPAR3 Q9UBY5 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FABP3 P05413 1/20 0.55
LPAR4 Q99677 2/20 0.54
LPAR5 Q9H1C0 2/20 0.54
LPAR2 Q9HBW0 2/20 0.54
CES2 O00748 1/20 0.54
LPAR6 P43657 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
S1PR1 P21453 1/20 0.53
NR5A2 O00482 1/20 0.53
NR5A1 Q13285 1/20 0.53

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
SCHEMBL23123577 1.00 PRKCE (0.60) PRKCEPRKCQPRKCDPRKCAENPP2
SCHEMBL4451416 0.94 LPAR3 (0.62) PRKCEPRKCQPRKCDPRKCAENPP2
SCHEMBL4450733 0.94 LPAR3 (0.62) PRKCEPRKCQPRKCDPRKCAENPP2
SCHEMBL1613618 0.93 PRKCA (0.61) PRKCEPRKCQPRKCDPRKCAENPP2
SCHEMBL23123570 0.93 PRKCA (0.61) PRKCEPRKCQPRKCDPRKCAENPP2
SCHEMBL1613622 0.92 SLC6A5 (0.60) PRKCEPRKCQPRKCDPRKCAENPP2
SCHEMBL138219 0.87 PRKCA (0.74) PRKCEPRKCQPRKCDPRKCASLC6A5
SCHEMBL24217679 0.87 PRKCA (0.74) PRKCEPRKCQPRKCDPRKCASLC6A5
SCHEMBL21381523 0.87 PRKCA (0.74) PRKCEPRKCQPRKCDPRKCASLC6A5
SCHEMBL19411106 0.87 PRKCA (0.74) PRKCEPRKCQPRKCDPRKCASLC6A5

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
EP-2280691-B1 crystalline DOPC MERCK PATENT GMBH (DE) 2022-08-03 EP disclosed
US-8513446-B2 Stable crystal modifications of DOPC MERCK PATENT GMBH (DE) 2013-08-20 US disclosed
US-20110086091-A1 STABLE CRYSTAL MODIFICATIONS OF DOPC MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2011-04-14 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-20110086091-A1 STABLE CRYSTAL MODIFICATIONS OF DOPC RAB5C, PHOSPHO1, DHCR7 PRKCE 1533/4885PRKCQ 617/4885PRKCD 1034/4885

“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.