SCHEMBL15345367

SCHEMBL15345367

CCCCCCc1cc(CN)c2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TLR8 Q9NR97 9/20 0.45
HTR2A P28223 3/20 0.45
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
PTGS2 P35354 2/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 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
SCHEMBL15345462 1.00 MAPT (0.47) MAPTTLR8HTR2ADRD2SLC6A2
SCHEMBL15345770 0.94 TLR8 (0.42) MAPTTLR8HTR2AHTR1A
SCHEMBL11780513 0.89 MAPT (0.50) MAPTTLR8PTGS2
SCHEMBL8563043 0.89 MAPT (0.50) MAPTTLR8PTGS2
SCHEMBL15345593 0.88 MAPT (0.47) MAPTTLR8HTR2A
SCHEMBL15345543 0.88 MAPT (0.47) MAPTTLR8HTR2A
SCHEMBL15345355 0.84 S1PR1 (0.53) TLR8HTR2ADRD2SLC6A2HTR2C
SCHEMBL15345306 0.84 S1PR1 (0.53) TLR8HTR2ADRD2SLC6A2HTR2C
SCHEMBL4612510 0.82 MAPT (0.45) MAPTTLR8PTGS2
SCHEMBL27279895 0.82 TLR8 (0.45) MAPTTLR8

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 MAPT 3001/4885TLR8 2731/4885HTR2A 700/4885

“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.