SCHEMBL6681906

SCHEMBL6681906

NCc1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
WDR5 P61964 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
HTR2A P28223 1/20 0.39
HPRT1 P00492 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
Phosphine SCHEMBL28241012 0.98 HPGDS (0.44) HPGDSDPP4ALDH1A1TAAR1MAPT
SCHEMBL15263192 0.88 ALDH1A1 (0.48) HPGDSALDH1A1TAAR1MAPTKDM4E
SCHEMBL7604074 0.82 WDR5 (0.46) HPGDSALDH1A1MAPTKDM4ECYP2A6
SCHEMBL7931301 0.81 TDP1 (0.41) ALDH1A1MAPTKDM4ECYP2A6TSHR
SCHEMBL7600324 0.81 WDR5 (0.44) ALDH1A1MAPTKDM4ECYP2A6TSHR
SCHEMBL17360625 0.79 GPR55 (0.46) GABRA1GABRG2GABRB3
SCHEMBL21000169 0.79 MAPT (0.42) HPGDSALDH1A1TAAR1MAPTKDM4E
Phosphine SCHEMBL28241094 0.79 WDR5 (0.43) ALDH1A1MAPTKDM4ECYP2A6TSHR
SCHEMBL7607961 0.78 MAPT (0.39) ALDH1A1MAPTKDM4ECYP2A6TSHR
SCHEMBL1537098 0.78 GPR84 (0.43) ALDH1A1MAPTKDM4EGAACYP2A6

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 5 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
WO-2004065349-A1 MEDICALLY USEFUL 1-PHENYL-2-AMINOMETHYL NAPHTHALENES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING THEM AND USE THEREOF Johannes Gutenberg-Universität Mainz (DE) 2004-08-05 WO disclosed
WO-2004065349-A1 MEDICALLY USEFUL 1-PHENYL-2-AMINOMETHYL NAPHTHALENES, METHOD FOR PRODUCING THEM, DRUGS CONTAINING THEM AND USE THEREOF Johannes Gutenberg-Universität Mainz (DE) 2004-08-05 WO 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 HPGDS 3672/4885DPP4 4821/4885ALDH1A1 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.