SCHEMBL21764816

SCHEMBL21764816

CCCCOP(N)(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL112789 0.84 TSHR (0.63) CETPL3MBTL1TSHR
SCHEMBL4948490 0.83 CYP3A4 (0.59) CETPL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL7917113 0.83 CYP3A4 (0.59) CETPL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL2914825 0.81 TSHR (0.71) CETPL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL11145463 0.79 CETP (0.57) CETP
SCHEMBL5615773 0.79 CETP (0.53) CETPL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL617402 0.78 CYP3A4 (0.64) TSHRCYP3A4
SCHEMBL11149582 0.78 TSHR (0.62) CETPL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL27937449 0.78 CETP (0.56) CETPL3MBTL1TSHRALDH1A1CYP3A4
SCHEMBL4948716 0.77 CETP (0.63) CETPTSHRCYP3A4

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-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 CETP 2837/4885L3MBTL1 372/4885TSHR 1132/4885
US-20230371517-A1 COMBINATIONS TREATMENTS DDT, AS3MT, GPX4 CETP 672/4885L3MBTL1 229/4885TSHR 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.