SCHEMBL15345459

SCHEMBL15345459

NCc1cccc2cc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.45
CYP2A6 P11509 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
DPP4 P27487 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL3571368 0.85 MEN1 (0.40) LOXL2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3570495 0.85 CYP2A6 (0.47) PNMTCYP2A6LOXL2HTR2ATAAR1
Hydrochloric Acid SCHEMBL3580262 0.83 CYP2A6 (0.46) PNMTCYP2A6LOXL2HTR2ATAAR1
SCHEMBL3276118 0.82 CYP2A6 (0.45) CYP2A6MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3577314 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2ACYP1A2CYP2C19
SCHEMBL26523523 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2ACYP1A2CYP2C19
SCHEMBL15351532 0.81 CYP2A6 (0.43) CYP2A6MEN1KMT2ACYP1A2CYP2C19
SCHEMBL4847363 0.78 ROCK1 (0.49) PNMTCYP2A6LOXL2HTR2ATAAR1
SCHEMBL2769421 0.78 HTR2A (0.50) PNMTCYP2A6LOXL2HTR2ADPP4
SCHEMBL4020188 0.78 PLAU (0.55) PNMTLOXL2HTR2ACYP1A2CYP2C19

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 334/4885CYP2A6 278/4885LOXL2 3456/4885

“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.