SCHEMBL15345360

SCHEMBL15345360

NCc1ccc2cccc(F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.45
PRKCB P05771 2/20 0.43
PRKCA P17252 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOB P27338 3/20 0.41
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PLG P00747 2/20 0.38
KLK1 P06870 2/20 0.38
KLK6 Q92876 2/20 0.38

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
Hydrochloric Acid SCHEMBL20562378 0.85 TAAR1 (0.52) TAAR1MAOBPNMT
SCHEMBL15345790 0.85 ROCK1 (0.47) LOXL2PRKCBPRKCATAAR1MAOB
SCHEMBL17288523 0.81 TRPV1 (0.41) TRPV1
SCHEMBL31549498 0.81 TRPV1 (0.41) ENPP2TRPV1
SCHEMBL14226497 0.79 HRH3 (0.46) LOXL2TAAR1PNMTENPP2ASIC3
SCHEMBL22278134 0.78 PRKCB (0.41) LOXL2PRKCBPRKCATAAR1PNMT
SCHEMBL17288746 0.78 CYP1A2 (0.37) TAAR1MAOBTRPV1HRH3
SCHEMBL31284846 0.78 ALDH1A1 (0.56) LOXL2PRKCBPRKCATAAR1ASIC3
SCHEMBL15345416 0.77 ADRA2A (0.49) LOXL2PRKCBPRKCATAAR1PNMT
SCHEMBL15345348 0.77 PRKCB (0.43) LOXL2PRKCBPRKCATAAR1PNMT

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
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP 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-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 LOXL2 3456/4885PRKCB 2435/4885PRKCA 2714/4885

“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.