SCHEMBL15345455

SCHEMBL15345455

CCOc1cc2ccccc2cc1CN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.51
ALDH1A1 P00352 2/20 0.46
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AGXT P21549 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AOC3 Q16853 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL28342423 0.86 TLR8 (0.49) TLR8ALDH1A1
SCHEMBL15345637 0.86 TLR8 (0.54) TLR8ALDH1A1NOS3NOS1L3MBTL1
Hydrochloric Acid SCHEMBL20564158 0.84 TLR8 (0.47) TLR8ALDH1A1MAPTKDM4E
SCHEMBL3818602 0.82 TLR8 (0.58) TLR8ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL15345380 0.81 NQO1 (0.50) TLR8ALDH1A1MAPTKDM4EHPGD
SCHEMBL23457948 0.78 TLR8 (0.55) TLR8ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL29919786 0.78 TLR8 (0.55) TLR8ALDH1A1L3MBTL1MAPTNPSR1
SCHEMBL15345811 0.77 HTR2A (0.43) TLR8L3MBTL1MAPTNPSR1AGXT
SCHEMBL1807825 0.77 TLR8 (0.59) TLR8ALDH1A1L3MBTL1MAPTNPC1
SCHEMBL31195759 0.76 L3MBTL1 (0.60) ALDH1A1L3MBTL1MAPTNPSR1AOC3

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 TLR8 2731/4885ALDH1A1 250/4885NOS3 448/4885

“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.