SCHEMBL21764567

SCHEMBL21764567

CCCCCOP(=O)(O)OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.57
LPAR2 Q9HBW0 6/20 0.57
LPAR1 Q92633 3/20 0.57
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CES2 O00748 1/20 0.41
P2RY10 O00398 4/20 0.41
LPAR5 Q9H1C0 1/20 0.40
GPR34 Q9UPC5 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
SCHEMBL21764803 0.94 CYP3A4 (0.50) LPAR3LPAR2LPAR1CYP3A4ALDH1A1
SCHEMBL27540332 0.92 CYP3A4 (0.48) LPAR3LPAR2LPAR1CYP3A4ALDH1A1
Sulfuric Acid SCHEMBL28845202 0.90 LPAR3 (0.51) LPAR3LPAR2LPAR1CES2P2RY10
SCHEMBL21764565 0.86 LPAR3 (0.38) LPAR3LPAR2LPAR1CYP3A4ALDH1A1
SCHEMBL9711831 0.85 LPAR3 (0.57) LPAR3LPAR2LPAR1CYP3A4P2RY10
SCHEMBL27397877 0.84 CYP3A4 (0.56) LPAR3LPAR2LPAR1CYP3A4ALDH1A1
SCHEMBL497151 0.83 LPAR3 (0.71) LPAR3LPAR2LPAR1CYP3A4P2RY10
SCHEMBL15876073 0.83 LPAR3 (0.60) LPAR3LPAR2LPAR1P2RY10GPR34
SCHEMBL5015241 0.82 LPAR3 (0.35) LPAR3LPAR2LPAR1CYP3A4ALDH1A1
Acetic Acid SCHEMBL28651311 0.82 LPAR3 (0.64) LPAR3LPAR2LPAR1CES2P2RY10

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-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
US-20230371517-A1 COMBINATIONS TREATMENTS AEQUOR, INC. (US) 2023-11-23 US disclosed
US-20200060280-A1 Antimicrobial Compounds and Methods of Use AEQUOR, INC. 2020-02-27 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-20200060280-A1 Antimicrobial Compounds and Methods of Use DDT, PFAS, DSTN LPAR3 3397/4885LPAR2 3576/4885LPAR1 3108/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 LPAR3 1324/4885LPAR2 1258/4885LPAR1 1238/4885

“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.