SCHEMBL15345474

SCHEMBL15345474

NCc1ccc(Cl)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.59
CYP1A2 P05177 3/20 0.59
PNMT P11086 2/20 0.54
DPP4 P27487 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.45
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
GPR84 Q9NQS5 2/20 0.41
NR4A2 P43354 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40

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
SCHEMBL15345384 0.86 PNMT (0.64) CYP2A6CYP1A2PNMTDPP4LOXL2
SCHEMBL5052533 0.85 LOXL2 (0.56) CYP2A6CYP1A2PNMTDPP4LOXL2
SCHEMBL29463712 0.85 LOXL2 (0.56) CYP2A6CYP1A2PNMTDPP4LOXL2
Hydrochloric Acid SCHEMBL5691546 0.83 LOXL2 (0.54) CYP2A6PNMTDPP4LOXL2TAAR1
SCHEMBL1254359 0.83 TAAR1 (0.57) CYP2A6CYP1A2GPR84TAAR1
SCHEMBL7915217 0.79 CYP2A6 (0.62) CYP2A6CYP1A2PNMTKMT2AATM
SCHEMBL5372145 0.79 CYP2A6 (0.62) CYP2A6CYP1A2KMT2AATMGPR84
SCHEMBL10409318 0.77 CYP2A6 (0.59) CYP2A6CYP1A2PNMTKMT2AATM
SCHEMBL14444102 0.77 CYP1A2 (0.59) CYP2A6CYP1A2KMT2AATMGPR84
SCHEMBL6417657 0.77 CYP2A6 (0.59) CYP2A6CYP1A2PNMTKMT2AATM

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 CYP2A6 278/4885CYP1A2 98/4885PNMT 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.