SCHEMBL15345447

SCHEMBL15345447

COC(N)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
UGT2B7 P16662 1/20 0.52
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
SLC6A2 P23975 8/20 0.46
SLC6A4 P31645 8/20 0.46
SLC6A3 Q01959 8/20 0.46
CYP2D6 P10635 5/20 0.46
KCNH2 Q12809 5/20 0.46
CYP3A4 P08684 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL15345785 0.79 UGT2B7 (0.47) AOC3UGT2B7CYP1A2CYP2A6SLC6A2
SCHEMBL4411103 0.79 UGT2B7 (0.55) AOC3UGT2B7CYP1A2CYP2A6SLC6A2
SCHEMBL15345403 0.78 SLC6A2 (0.51) AOC3UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL1753651 0.78 UGT2B7 (0.59) AOC3UGT2B7CYP1A2CYP2A6SLC6A2
SCHEMBL25434816 0.77 UGT2B7 (0.63) AOC3UGT2B7CYP1A2SLC6A2SLC6A4
SCHEMBL29471009 0.77 UGT2B7 (0.63) AOC3UGT2B7CYP1A2SLC6A2SLC6A4
SCHEMBL38429 0.77 UGT2B7 (0.63) AOC3UGT2B7CYP1A2SLC6A2SLC6A4
SCHEMBL29463254 0.77 UGT2B7 (0.63) AOC3UGT2B7CYP1A2SLC6A2SLC6A4
SCHEMBL14019306 0.77 UGT2B7 (0.63) AOC3UGT2B7CYP1A2SLC6A2SLC6A4
SCHEMBL307143 0.77 UGT2B7 (0.63) AOC3UGT2B7CYP1A2SLC6A2SLC6A4

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 AOC3 29/4885UGT2B7 682/4885CYP1A2 98/4885

“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.