SCHEMBL20280407

SCHEMBL20280407

CC(C)CNCC(C)(C)C=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ANPEP P15144 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19971133 0.82 ALDH1A1 (0.30) ADH1BADH1CADH1ACYP2D6
SCHEMBL24724878 0.79 ADH1B (0.36) ADH1BADH1CADH1A
SCHEMBL3421028 0.74 ADH1B (0.38) ADH1BADH1CADH1AANPEPCYP2D6
SCHEMBL15861930 0.74 ADH1B (0.38) ADH1BADH1CADH1AANPEPCYP2D6
SCHEMBL18768100 0.73 ADH1B (0.32) ADH1BADH1CADH1A
SCHEMBL9936326 0.72
SCHEMBL21727078 0.71 ADH1B (0.34) ADH1BADH1CADH1A
SCHEMBL21015978 0.70 ADH1B (0.35) ADH1BADH1CADH1AANPEP
SCHEMBL23046330 0.70 ADH1B (0.35) ADH1BADH1CADH1AANPEP
SCHEMBL3422570 0.70 ANPEP (0.35) ADH1BADH1CADH1AANPEPCYP2D6

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
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
US-10550071-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-02-04 US disclosed
US-20180170857-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-06-21 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-20180170857-A1 PPAR AGONISTS PPARG, PPARD, PPARA ADH1B 938/4885ADH1C 1357/4885ADH1A 998/4885
US-10550071-B2 PPAR agonists PPARG, PPARD, PPARA ADH1B 938/4885ADH1C 1357/4885ADH1A 998/4885

“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.