SCHEMBL21764565

SCHEMBL21764565

CCCOP(=O)(O)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
BTN3A1 O00481 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.33
MVD P53602 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLA2G2C Q5R387 1/20 0.32

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 0.88 CYP3A4 (0.50) LPAR3LPAR1LPAR2ALDH1A1CYP3A4
SCHEMBL21764567 0.86 LPAR3 (0.57) LPAR3LPAR1LPAR2ALDH1A1CYP3A4
SCHEMBL27540332 0.86 CYP3A4 (0.48) LPAR3LPAR1LPAR2ALDH1A1CYP3A4
SCHEMBL1290380 0.82 TSHR (0.42) BTN3A1ALDH1A1LMNAHSD17B10
SCHEMBL28300641 0.82 ALDH1A1 (0.50) BTN3A1ALDH1A1KMT2ACYP3A4LMNA
SCHEMBL27397877 0.81 CYP3A4 (0.56) LPAR3LPAR1LPAR2ALDH1A1CYP3A4
SCHEMBL497177 0.81 LPAR3 (0.46) LPAR3LPAR1LPAR2BTN3A1MEN1
SCHEMBL27951653 0.81 CA4 (0.44) LPAR3LPAR1LPAR2BTN3A1MEN1
SCHEMBL2638491 0.80 TSHR (0.42) LPAR3LPAR1LPAR2BTN3A1ALDH1A1
SCHEMBL27304148 0.80 ALDH1A1 (0.48) BTN3A1ALDH1A1KMT2ACYP3A4LMNA

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 4 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
CN-105530823-B Food composition 株式会社大塚制药工场 2021-03-23 CN 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 3397/4885LPAR1 3108/4885LPAR2 3576/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 LPAR3 1324/4885LPAR1 1238/4885LPAR2 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.