SCHEMBL21764796

SCHEMBL21764796

CCCCCCOP(N)(=O)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.53
LPAR2 Q9HBW0 6/20 0.53
LPAR1 Q92633 3/20 0.53
CES2 O00748 1/20 0.43
CYP3A4 P08684 1/20 0.41
TSHR P16473 2/20 0.41
NAAA Q02083 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CDC25A P30304 1/20 0.40
AGTR1 P30556 1/20 0.40
AKT1 P31749 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL21764589 0.98 LPAR3 (0.50) LPAR3LPAR2LPAR1CES2CYP3A4
SCHEMBL21764713 0.93 CYP3A4 (0.48) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL21764583 0.85 ALDH1A1 (0.35) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL28954648 0.82 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL17686773 0.82 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL393907 0.82 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL9463219 0.82 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL29085821 0.82 LPAR3 (0.61) LPAR3LPAR2LPAR1CYP3A4LMNA
SCHEMBL21764586 0.81 LPAR3 (0.59) LPAR3LPAR2LPAR1CYP3A4TSHR
SCHEMBL1194563 0.80 LPAR3 (0.58) LPAR3LPAR2LPAR1CYP3A4TSHR

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 5 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
WO-2022081594-A1 ANTIMICROBIAL COMBINATION THERAPEUTICS AEQUOR, INC. (US) 2022-04-21 WO disclosed
EP-3474860-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE AEQUOR INC (US) 2021-12-15 EP 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.