SCHEMBL15345404

SCHEMBL15345404

NCc1cc(O)c2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.55
TRPM4 Q8TD43 1/20 0.52
HTR2A P28223 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP1A2 P05177 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.42
PLAU P00749 1/20 0.41
PTPN1 P18031 1/20 0.41
ENPP2 Q13822 1/20 0.41
PLG P00747 4/20 0.40
KLK1 P06870 4/20 0.40
KLK6 Q92876 4/20 0.40
AKR1B1 P15121 1/20 0.40
BCHE P06276 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL29977590 0.82 NQO2 (0.57) NQO2TRPM4KDM4EALDH1A1MAPT
SCHEMBL2806194 0.82 NQO2 (0.57) NQO2TRPM4KDM4EALDH1A1MAPT
SCHEMBL3356085 0.80 NQO2 (0.55) NQO2TRPM4KDM4EGAACYP1A2
SCHEMBL10746784 0.80 NQO2 (0.55) NQO2TRPM4HTR2AKDM4EALDH1A1
SCHEMBL15345538 0.78 PLAU (0.58) CYP1A2PLAUENPP2PLGKLK1
SCHEMBL8655955 0.78 HTR2A (0.52) HTR2AKDM4EALDH1A1GAAMAPT
SCHEMBL20799527 0.77 NQO2 (0.52) NQO2TRPM4KDM4EALDH1A1GAA
SCHEMBL15345346 0.76 HTR2A (0.50) HTR2AKDM4EALDH1A1GAAMAPT
SCHEMBL15345473 0.76 HTR2A (0.50) HTR2AKDM4EALDH1A1GAAMAPT
SCHEMBL15345433 0.76 HTR2A (0.50) HTR2AKDM4EALDH1A1GAAMAPT

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 NQO2 1296/4885TRPM4 2457/4885HTR2A 700/4885

“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.