SCHEMBL15345342

SCHEMBL15345342

CCc1cccc2cccc(CN)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
ELANE P08246 4/20 0.42
PNMT P11086 2/20 0.40
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 2/20 0.38
CYP1B1 Q16678 2/20 0.37
CACNA1C Q13936 1/20 0.37
NSD2 O96028 1/20 0.37
CASP6 P55212 1/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DAO P14920 1/20 0.36
HEXA P06865 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
SCHEMBL3244580 0.89 GABRA1 (0.52) GABRA1GABRB2ELANEKCNH2SCN5A
SCHEMBL9817745 0.89 PNMT (0.48) PNMTCYP1B1ALDH1A1CYP1A1CYP1A2
SCHEMBL31284939 0.89 PNMT (0.48) PNMTCYP1B1ALDH1A1CYP1A1CYP1A2
SCHEMBL15345445 0.80 TLR8 (0.42) KCNH2CYP3A4
SCHEMBL15345424 0.78 TAAR1 (0.43) PNMTCYP1B1ALDH1A1CYP1A1CYP1A2
SCHEMBL5748520 0.78 ELANE (0.46) GABRA1GABRB2ELANECYP1B1NSD2
SCHEMBL954995 0.78 GABRA1 (0.48) GABRA1GABRB2ELANEKCNH2SCN5A
SCHEMBL953211 0.78 GABRA1 (0.48) GABRA1GABRB2ELANEKCNH2SCN5A
SCHEMBL31732993 0.78 GABRA1 (0.48) GABRA1GABRB2ELANEKCNH2SCN5A
SCHEMBL15345387 0.77 LIPG (0.46) KCNH2

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 279/4885ELANE 4692/4885

“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.