SCHEMBL15345384

SCHEMBL15345384

NCc1cccc2c(Cl)cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.64
CYP1A2 P05177 4/20 0.59
CYP2A6 P11509 3/20 0.59
NR4A2 P43354 1/20 0.52
DPP4 P27487 2/20 0.52
TAAR1 Q96RJ0 4/20 0.47
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
FPR2 P25090 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTOR P42345 1/20 0.42
CSNK1A1 P48729 1/20 0.42
MYLK Q15746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.42
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL15345474 0.86 CYP2A6 (0.59) PNMTCYP1A2CYP2A6NR4A2DPP4
SCHEMBL3882536 0.85 PNMT (0.52) PNMTCYP1A2CYP2A6DPP4TAAR1
SCHEMBL29463705 0.85 PNMT (0.52) PNMTCYP1A2CYP2A6DPP4TAAR1
SCHEMBL15352644 0.79 CYP1A2 (0.62) PNMTCYP1A2CYP2A6NR4A2TAAR1
SCHEMBL11865918 0.79 CYP1A2 (0.62) PNMTCYP1A2CYP2A6NR4A2TAAR1
SCHEMBL42705 0.78 PNMT (1.00) PNMTDPP4TAAR1KDM4EHTR2A
SCHEMBL15351192 0.77 CYP1A2 (0.59) PNMTCYP1A2CYP2A6NR4A2TAAR1
SCHEMBL7840004 0.77 CYP1A2 (0.59) PNMTCYP1A2CYP2A6NR4A2TAAR1
SCHEMBL12770134 0.77 CYP1A2 (0.59) PNMTCYP1A2CYP2A6NR4A2CYP3A4
SCHEMBL2468811 0.77 CYP1A2 (1.00) CYP1A2CYP2A6NR4A2CYP3A4KDM4E

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 PNMT 334/4885CYP1A2 98/4885CYP2A6 278/4885

“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.