SCHEMBL15345388

SCHEMBL15345388

CCc1ccc(CN)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
CYP2A6 P11509 1/20 0.42
PNMT P11086 1/20 0.39
CNR2 P34972 3/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
HTR2A P28223 1/20 0.37
DPP4 P27487 1/20 0.37
HTR6 P50406 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
TP53 P04637 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
SCHEMBL15345554 0.91 GABRA1 (0.46) LOXL2CYP2A6PNMTCSNK2A2CSNK2B
SCHEMBL5682891 0.87 GABRA1 (0.43) CNR2GABRA1GABRB2TP53
SCHEMBL30537735 0.87 GABRA1 (0.43) CNR2GABRA1GABRB2TP53
SCHEMBL29463712 0.87 LOXL2 (0.56) LOXL2CYP2A6PNMTHTR2ADPP4
SCHEMBL5052533 0.87 LOXL2 (0.56) LOXL2CYP2A6PNMTHTR2ADPP4
Hydrochloric Acid SCHEMBL5691546 0.85 LOXL2 (0.54) LOXL2CYP2A6PNMTHTR2ADPP4
SCHEMBL19248498 0.82 TAAR1 (0.48) CYP2A6HTR2AHTR6
SCHEMBL29352142 0.80 CNR2 (0.39) CNR2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL31574390 0.79 IDO1 (0.47) CNR2
SCHEMBL3914647 0.79 CYP1A2 (0.59) LOXL2CYP2A6PNMTHTR2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2018-04-05 US disclosed
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2017-08-17 US disclosed
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 (3 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-20180093939-A9 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS LOXL2 458/4885CYP2A6 4532/4885PNMT 1782/4885
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS LOXL2 458/4885CYP2A6 4532/4885PNMT 1782/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 LOXL2 3456/4885CYP2A6 278/4885PNMT 334/4885

“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.