SCHEMBL21764814

SCHEMBL21764814

CCCCOP(N)(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
LPAR3 Q9UBY5 4/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
TSHR P16473 2/20 0.43
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL617402 0.93 CYP3A4 (0.64) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL21764804 0.88 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL21764574 0.88 CYP3A4 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL21764586 0.86 LPAR3 (0.59) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL1194563 0.86 LPAR3 (0.58) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL17686773 0.84 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL9463219 0.84 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL29085821 0.84 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL393907 0.84 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL28954648 0.84 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025093404-A1 CURABLE PHOSPHOROUS-BASED COPOLYMER AND ITS COMPOSITE FOR USE AS A MEDICAL IMPLANT Université de Liège (BE) 2025-05-08 WO disclosed
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-3984540-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE Aequor, Inc. (US) 2022-04-20 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 CYP3A4 2361/4885LPAR3 3397/4885LPAR1 3108/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 CYP3A4 1048/4885LPAR3 1324/4885LPAR1 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.