SCHEMBL6404477

SCHEMBL6404477

NCc1c(Cl)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TAAR1 Q96RJ0 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
HTR2A P28223 1/20 0.57
CYP2A6 P11509 4/20 0.54
CYP1A2 P05177 3/20 0.46
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
HPRT1 P00492 1/20 0.41
PNMT P11086 1/20 0.40
PAX8 Q06710 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL6011729 0.81 L3MBTL1 (0.59) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL15352274 0.79 CYP2A6 (0.54) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL15352363 0.79 CYP2A6 (0.54) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL11423414 0.79 CYP2A6 (0.54) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL6413861 0.79 CYP2A6 (0.54) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL3670705 0.78 HTR2A (0.67) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL332449 0.77 ALDH1A1 (0.62) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL10751032 0.77 ALDH1A1 (0.62) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL8039757 0.76 CYP2A6 (0.50) ALDH1A1TAAR1KDM4EGAAMAPT
SCHEMBL10962181 0.76 CYP2A6 (0.50) ALDH1A1CYP2A6CYP1A2HSD17B10TSHR

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 7 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
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 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 ALDH1A1 250/4885TAAR1 6/4885KDM4E 1985/4885

“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.