SCHEMBL15345375

SCHEMBL15345375

CCOc1ccc2cc(CN)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
KLKB1 P03952 1/20 0.47
AGXT P21549 2/20 0.46
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CYP1A2 P05177 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MEN1 O00255 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
SCHEMBL15345584 0.96 AGXT (0.47) NQO1KLKB1AGXTTSHRTDP1
SCHEMBL15345345 0.85 CSNK2A1 (0.54) AGXTTDP1LMNACA12CA1
SCHEMBL10017495 0.84 CYP1A2 (0.57) NQO1TSHRTDP1AKR1C3AKR1C2
SCHEMBL29629327 0.83 NQO1 (0.68) NQO1TSHRTDP1AKR1C3AKR1C2
SCHEMBL3825385 0.83 NQO1 (0.68) NQO1TSHRTDP1AKR1C3AKR1C2
SCHEMBL15345608 0.82 CSNK2A1 (0.51) AGXTTDP1LMNACA12CA1
SCHEMBL745742 0.81 NQO1 (0.67) NQO1TSHRTDP1LMNASMN1; SMN2
SCHEMBL31380296 0.80 PTGS1 (0.58) AKR1C3AKR1C2LMNASMN1; SMN2CYP1A2
SCHEMBL4670544 0.80 PTGS1 (0.58) AKR1C3AKR1C2LMNASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL8121968 0.79 NQO1 (0.64) NQO1TSHRTDP1LMNASMN1; SMN2

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 NQO1 322/4885KLKB1 4397/4885AGXT 743/4885

“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.