SCHEMBL15345402

SCHEMBL15345402

NCc1ccc2c(Oc3ccccc3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
LOXL2 Q9Y4K0 5/20 0.45
ST14 Q9Y5Y6 1/20 0.44
LOX P28300 2/20 0.44
ASIC3 Q9UHC3 1/20 0.43
HRH1 P35367 1/20 0.42
ROCK1 Q13464 2/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
TTR P02766 1/20 0.41
KCNA3 P22001 1/20 0.41
KDM2B Q8NHM5 1/20 0.39

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
SCHEMBL15345463 0.88 DPP4 (0.47) DPP4LOXL2ST14LOXASIC3
SCHEMBL17919919 0.84 CYP1A2 (0.53) ROCK1CARM1PRMT6TTRKCNA3
SCHEMBL15345331 0.84 LOXL2 (0.44) DPP4LOXL2ST14LOXASIC3
SCHEMBL21120581 0.79 MAOB (0.52) DPP4HRH1KCNA3KDM2B
SCHEMBL15345448 0.79 DHODH (0.46) LOXL2ASIC3ROCK1
SCHEMBL9693024 0.77 LTA4H (0.46) DPP4HRH1KCNA3
SCHEMBL8300933 0.77 CNR1 (0.40) LOXL2CARM1PRMT6
SCHEMBL15345352 0.76 ROCK1 (0.45) ROCK1
SCHEMBL445495 0.76 CTNNB1 (0.44) DPP4HRH1KCNA3
SCHEMBL17913752 0.76 CYP2A6 (0.48) KCNA3KDM2B

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 DPP4 4821/4885LOXL2 3456/4885ST14 4725/4885

“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.