SCHEMBL22010635

SCHEMBL22010635

CCc1n[nH]c(C(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 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
SCHEMBL20462590 0.83 GLA (0.32) AOC3ALDH1A1CYP2C9
SCHEMBL28417289 0.80 CYP2C19 (0.36) AOC3
SCHEMBL20462607 0.80 AOC3 (0.33) AOC3ALDH1A1CYP2C9
SCHEMBL20464251 0.77 AOC3 (0.34) AOC3ALDH1A1CYP2C9
SCHEMBL20462604 0.74 AOC3 (0.33) AOC3ALDH1A1CYP2C9
SCHEMBL20462589 0.74 ALDH1A1 (0.34) AOC3ALDH1A1CYP2C9
SCHEMBL20464220 0.72 HTT (0.42) AOC3ALDH1A1CYP2C9
SCHEMBL10512741 0.71
SCHEMBL14845683 0.69
SCHEMBL7771015 0.69

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
EP-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
US-20210395225-A1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2021-12-23 US disclosed
WO-2020102098-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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-20210395225-A1 FUNCTIONALIZED AMINOTRIAZINES TBXA2R, ADORA2B, ADORA2A AOC3 63/4885ALDH1A1 778/4885CYP2C9 984/4885

“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.