SCHEMBL12371254

SCHEMBL12371254

COCCN1C(C)CCC1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.40
LTA4H P09960 1/20 0.38
HRH3 Q9Y5N1 8/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
ALDH1A1 P00352 1/20 0.33
MAOB P27338 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
SCHEMBL16418011 1.00 GBA1 (0.40) GBA1LTA4HHRH3HRH2HRH1
SCHEMBL16418013 1.00 GBA1 (0.40) GBA1LTA4HHRH3HRH2HRH1
SCHEMBL13552315 0.86 HRH3 (0.45) HRH3HRH2HRH1MAOB
SCHEMBL9921292 0.86 HRH3 (0.45) HRH3HRH2HRH1MAOB
SCHEMBL13552331 0.86 HRH3 (0.45) HRH3HRH2HRH1MAOB
SCHEMBL24911011 0.81 GBA1 (0.38) GBA1
SCHEMBL29323149 0.81 GBA1 (0.38) GBA1
SCHEMBL12325470 0.81 GBA1 (0.38) GBA1
SCHEMBL21254093 0.79 GBA1 (0.37) GBA1
SCHEMBL25112160 0.79 GBA1 (0.37) GBA1

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-9149463-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANDFORD JUNIOR UNIVERSITY (US) 2015-10-06 US disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
US-8940730-B2 Methods and compositions of treating a Flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-01-27 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 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-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 GBA1 1547/4885LTA4H 2558/4885HRH3 4193/4885

“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.