SCHEMBL20362575

SCHEMBL20362575

COc1ccccc1CC1CC(C)(C)CN1SI

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CYP2D6 P10635 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL17651682 0.71 RAB9A (0.50) CYP2D6ALDH1A1USP2MAPTMEN1
SCHEMBL11370824 0.64 CHRNB4 (0.65) CYP2D6SIGMAR1HRH3
SCHEMBL14417569 0.64 HRH3 (0.51) ATMCYP2D6SIGMAR1KCNH2ALDH1A1
SCHEMBL23886286 0.64 CYP2D6 (0.53) CYP2D6SIGMAR1KCNH2ALDH1A1IDO1
SCHEMBL23459354 0.64 ATM (0.44) ATMCYP2D6ALDH1A1USP2MEN1
SCHEMBL11379176 0.62 SIGMAR1 (0.51) CYP2D6SIGMAR1KCNH2ALDH1A1USP2
SCHEMBL7114249 0.62 CYP2D6 (0.50) CYP2D6SIGMAR1KCNH2ALDH1A1GAA
SCHEMBL21015413 0.62 IDO1 (0.47) CYP2D6SIGMAR1KCNH2ALDH1A1GAA
SCHEMBL7446651 0.62 CYP2D6 (0.50) CYP2D6SIGMAR1HRH3MEN1KMT2A
SCHEMBL23091740 0.61 CYP2D6 (0.45) CYP2D6ALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 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 (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-10017441-B2 Direct anti-markovnikov addition of acids to alkenes HAO2, DUOX2, PDK2 ATM 677/4885CYP2D6 165/4885SIGMAR1 2222/4885

“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.