SCHEMBL15345476

SCHEMBL15345476

CCCCc1ccc2ccccc2c1CN

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HTR2A P28223 1/20 0.47
NCEH1 Q6PIU2 2/20 0.45
TLR8 Q9NR97 5/20 0.43
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 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
Hydrochloric Acid SCHEMBL15822836 0.98 GAA (0.49) GAAKDM4EALDH1A1MAPTTAAR1
SCHEMBL15345553 0.94 KDM4E (0.47) GAAKDM4EALDH1A1MAPTTAAR1
SCHEMBL15345672 0.94 KDM4E (0.47) GAAKDM4EALDH1A1MAPTTAAR1
Hydrochloric Acid SCHEMBL15821683 0.92 KDM4E (0.46) GAAKDM4EALDH1A1MAPTTAAR1
Hydrochloric Acid SCHEMBL15820723 0.92 KDM4E (0.46) GAAKDM4EALDH1A1MAPTTAAR1
Hydrochloric Acid SCHEMBL15821812 0.92 KDM4E (0.46) GAAKDM4EALDH1A1MAPTTAAR1
SCHEMBL761100 0.88 NCEH1 (0.51) GAAKDM4EALDH1A1MAPTTAAR1
SCHEMBL8171805 0.88 NCEH1 (0.48) GAAKDM4EALDH1A1MAPTTAAR1
SCHEMBL29832803 0.88 NCEH1 (0.51) GAAKDM4EALDH1A1MAPTTAAR1
SCHEMBL15345328 0.87 GAA (0.50) GAAKDM4EALDH1A1MAPTTAAR1

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 GAA 4030/4885KDM4E 1985/4885ALDH1A1 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.