SCHEMBL15345554

SCHEMBL15345554

CCc1cccc2c(CN)cccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
PNMT P11086 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
DAO P14920 1/20 0.38
DDO Q99489 1/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 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
DPP4 P27487 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL15345388 0.91 LOXL2 (0.47) GABRA1GABRB2PNMTLOXL2CYP2A6
SCHEMBL3238496 0.87 GABRA1 (0.57) GABRA1GABRB2DAODDOALDH1A1
SCHEMBL29463705 0.87 PNMT (0.52) PNMTLOXL2CYP2A6ALDH1A1DPP4
SCHEMBL3882536 0.87 PNMT (0.52) PNMTLOXL2CYP2A6ALDH1A1DPP4
SCHEMBL15345377 0.79 CYP1A2 (0.59) PNMTLOXL2CYP2A6ALDH1A1DPP4
SCHEMBL5749089 0.79 ALDH1A1 (0.59) GABRA1GABRB2ALDH1A1
SCHEMBL30900875 0.79 ALDH1A1 (0.59) GABRA1GABRB2ALDH1A1
SCHEMBL15345574 0.79 TLR8 (0.44) PNMT
SCHEMBL26253878 0.78 GABRA1 (0.54) GABRA1GABRB2DAODDOALDH1A1
Ethylamine SCHEMBL28642521 0.77 CYP2C19 (0.53) ALDH1A1HTT

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 GABRA1 133/4885GABRB2 279/4885PNMT 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.