SCHEMBL23599088

SCHEMBL23599088

CCOC(=O)CCc1ccncc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
DGAT2 Q96PD7 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MAPT P10636 1/20 0.42
TBXAS1 P24557 4/20 0.41
NOTUM Q6P988 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39

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
SCHEMBL30178437 0.88 CYP4F2 (0.53) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL27224521 0.88 CYP4F2 (0.56) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL3222285 0.86 CYP4F2 (0.55) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL17540563 0.85 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL31674750 0.85 CYP4F2 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL21855487 0.85 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL3651691 0.85 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL23579599 0.85 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL8580162 0.84 PKM (0.43) TBXAS1HSD17B10
SCHEMBL3581723 0.81 CYP4F2 (0.47) CYP4F2CYP4A11CA12CA1CA2

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-20240217932-A1 PYRIDIUM ESTERS THE PROCTER AND GAMBLE COMPANY 2024-07-04 US disclosed
EP-4374698-A1 PYRIDINIUM ESTERS The Procter & Gamble Company (US) 2024-05-29 EP disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
CN-1440401-A Amino substituted dibenzothiophene derivatives for treatmnt of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2003-09-03 CN 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 (1 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-20240217932-A1 PYRIDIUM ESTERS C5, CBR3, CHRM1 CYP4F2 70/4885CYP4A11 65/4885CA12 3752/4885

“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.