SCHEMBL20045049

SCHEMBL20045049

CCCCCCCC/C=C\CCCCCCCCOP(=O)(CN(CCO)CP(=O)(OCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.54
LPAR2 Q9HBW0 7/20 0.54
LPAR1 Q92633 5/20 0.54
P2RY10 O00398 1/20 0.41
CNR2 P34972 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
CNR1 P21554 2/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL19979596 0.94 LPAR3 (0.51) LPAR3LPAR2LPAR1P2RY10
SCHEMBL19979611 0.93 LPAR3 (0.47) LPAR3LPAR2LPAR1P2RY10CNR2
SCHEMBL19979602 0.91 LPAR3 (0.45) LPAR3LPAR2LPAR1P2RY10CNR2
SCHEMBL19979597 0.85 CYP3A4 (0.45) LPAR3LPAR2LPAR1
Trolamine SCHEMBL4931824 0.84 LPAR3 (0.72) LPAR3LPAR2LPAR1
Trolamine SCHEMBL4931834 0.84 LPAR3 (0.72) LPAR3LPAR2LPAR1
SCHEMBL20049675 0.84 LPAR3 (0.42) LPAR3LPAR2LPAR1
SCHEMBL29791453 0.82 LPAR3 (0.68) LPAR3LPAR2LPAR1
SCHEMBL14775348 0.82 CYP3A4 (0.45) LPAR3LPAR2LPAR1
SCHEMBL26345302 0.81 LPAR3 (0.57) LPAR3LPAR2LPAR1P2RY10TRPV1

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-10414784-B2 Aminobisphosphonate antiwear additives AFTON CHEMICAL CORPORATION (US) 2019-09-17 US disclosed
US-20180099985-A1 Novel AminoBisPhosphonate Antiwear Additives AFTON CHEMICAL CORP (US) 2018-04-12 US disclosed
US-20180099985-A1 Novel AminoBisPhosphonate Antiwear Additives AFTON CHEMICAL CORP (US) 2018-04-12 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-20180099985-A1 Novel AminoBisPhosphonate Antiwear Additives SOST, PSPH, FIBP LPAR3 1425/4885LPAR2 2993/4885LPAR1 1732/4885
US-10414784-B2 Aminobisphosphonate antiwear additives SOST, AASDHPPT, SLC35B2 LPAR3 1673/4885LPAR2 3267/4885LPAR1 2178/4885

“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.