SCHEMBL6404480

SCHEMBL6404480

NCc1ccc2ccccc2c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
PNMT P11086 2/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DPP4 P27487 1/20 0.44
HTR2A P28223 1/20 0.42
CYP1A2 P05177 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
HPRT1 P00492 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTRC Q99895 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 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
Hydrochloric Acid SCHEMBL20563297 0.82 TAAR1 (0.48) CYP2A6ALDH1A1TAAR1TSHRHSD17B10
SCHEMBL11889035 0.81 CYP2A6 (0.47) CYP2A6ALDH1A1KDM4EGAAMAPT
SCHEMBL12013593 0.81 CYP2A6 (0.56) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4453260 0.81 CYP2A6 (0.56) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6910872 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4697244 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8578429 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8895165 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3670122 0.79 CYP2A6 (0.48) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL15263192 0.78 ALDH1A1 (0.48) CYP2A6ALDH1A1KDM4EGAAMAPT

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 CYP2A6 278/4885PNMT 334/4885ALDH1A1 250/4885

“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.