SCHEMBL21764569

SCHEMBL21764569

CCCCOP(=O)(OCCCC)OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
LPAR3 Q9UBY5 3/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR2 Q9HBW0 2/20 0.45

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
SCHEMBL21764807 0.96 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL21764752 0.96 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL21764809 0.94 CYP3A4 (0.57) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL16055939 0.94 CYP3A4 (0.57) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL21764578 0.88 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL21764730 0.88 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL21764727 0.88 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL21764751 0.87 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL21764725 0.86 CYP3A4 (0.52) CYP3A4ALDH1A1TSHRLPAR3LPAR1
SCHEMBL21764568 0.86 CYP3A4 (0.52) CYP3A4ALDH1A1TSHRLPAR3LPAR1

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 2361/4885ALDH1A1 3876/4885TSHR 1132/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 CYP3A4 1048/4885ALDH1A1 2217/4885TSHR 1984/4885

“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.