SCHEMBL15345405

SCHEMBL15345405

NCc1ccc2cccc(C(N)=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
PLG P00747 6/20 0.47
KLK1 P06870 5/20 0.47
KLK6 Q92876 4/20 0.47
PLAU P00749 4/20 0.43
PARP1 P09874 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40
PDPK1 O15530 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL4847358 0.87 KDM4E (0.57) KDM4EALDH1A1GAAPLGKLK1
SCHEMBL3347252 0.77 KDM4E (0.62) KDM4EALDH1A1GAAPLAUPARP1
SCHEMBL3502648 0.77 KDM4E (0.62) KDM4EALDH1A1GAAPLAUPARP1
SCHEMBL28124449 0.77 KDM4E (0.62) KDM4EALDH1A1GAAPLGKLK1
SCHEMBL11161802 0.77 LOXL2 (0.50) KDM4EALDH1A1GAALOXL2SMN1; SMN2
SCHEMBL24840814 0.76 KDM4E (0.61) KDM4EALDH1A1GAAPLAUPARP1
SCHEMBL15345348 0.75 PRKCB (0.43) PLGKLK1KLK6LOXL2
SCHEMBL15345371 0.75 CTDSP1 (0.58) KDM4EALDH1A1GAAPLGKLK1
SCHEMBL29381201 0.74 KDM4E (0.68) KDM4EALDH1A1GAAPARP1MEN1
SCHEMBL43084 0.74 KDM4E (0.68) KDM4EALDH1A1GAAPARP1MEN1

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 KDM4E 1985/4885ALDH1A1 250/4885GAA 4030/4885

“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.