SCHEMBL15345491

SCHEMBL15345491

NCc1ccc2cc(Oc3ccccc3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.57
ASIC3 Q9UHC3 1/20 0.53
LOXL2 Q9Y4K0 4/20 0.51
LTA4H P09960 3/20 0.50
LOX P28300 2/20 0.50
PLA2G2A P14555 1/20 0.47
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.45
TSHR P16473 1/20 0.44
AGXT P21549 1/20 0.44

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
SCHEMBL15345324 0.96 ST14 (0.53) ST14ASIC3LOXL2LTA4HLOX
SCHEMBL923555 0.87 ST14 (0.64) ST14LOXL2LOXMAOBMAOA
SCHEMBL3717012 0.86 TRPM8 (0.49) LOXL2LTA4HPLA2G2AMAOA
SCHEMBL121432 0.84 ST14 (0.71) ST14LOXL2LTA4HPLA2G2AMAOB
SCHEMBL922831 0.84 AGXT (0.52) ST14LOXL2LOXMAOBMAOA
SCHEMBL1301847 0.82 LOXL2 (0.58) ST14LOXL2LTA4HLOXMAOB
Hydrochloric Acid SCHEMBL922977 0.82 ST14 (0.68) ST14LOXL2LTA4HLOXPLA2G2A
SCHEMBL9789564 0.82 LTA4H (0.67) LTA4HMAOBMAOATSHR
Hydrochloric Acid SCHEMBL919885 0.81 LOXL2 (0.57) ST14LOXL2LTA4HLOXMAOB
Hydrazine SCHEMBL15923213 0.79 LOXL2 (0.54) ST14LOXL2LTA4HLOXMAOB

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 ST14 4725/4885ASIC3 1232/4885LOXL2 3456/4885

“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.