SCHEMBL21764809

SCHEMBL21764809

CCCCCCOP(=O)(OCCCC)OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
LPAR3 Q9UBY5 7/20 0.55
LPAR2 Q9HBW0 6/20 0.55
LPAR1 Q92633 3/20 0.55
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.45
CES2 O00748 1/20 0.44
NAAA Q02083 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
SCHEMBL21764752 0.98 CYP3A4 (0.59) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21764569 0.94 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21764807 0.91 CYP3A4 (0.59) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL16055939 0.89 CYP3A4 (0.57) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21764727 0.83 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21764730 0.83 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21764578 0.83 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL3812860 0.82 CYP3A4 (0.85) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL1726850 0.82 CYP3A4 (0.85) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL269196 0.82 CYP3A4 (0.85) CYP3A4LPAR3LPAR2LPAR1TSHR

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 CYP3A4 2361/4885LPAR3 3397/4885LPAR2 3576/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 CYP3A4 1048/4885LPAR3 1324/4885LPAR2 1258/4885

“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.