SCHEMBL15345768

SCHEMBL15345768

CCCOc1cc(CN)c2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
TLR8 Q9NR97 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
AGXT P21549 2/20 0.39
PDE10A Q9Y233 1/20 0.38
BTK Q06187 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL15345811 0.87 HTR2A (0.43) HTR2ATLR8AGXTKDM4EMAPK1
SCHEMBL15345787 0.83 MTNR1A (0.46) GPBAR1CYSLTR1HTR1AHTR1BAGXT
SCHEMBL15345649 0.80 MEN1 (0.48) HTR2ATDP1CYP1A2MEN1KMT2A
SCHEMBL8561640 0.79 KCNA3 (0.47) TLR8HTR1B
SCHEMBL15345637 0.79 TLR8 (0.54) TLR8GPBAR1CYSLTR1HTR1AHTR1B
SCHEMBL5251976 0.77 LTA4H (0.44) TLR8GPBAR1CYSLTR1KDM4EMAPK1
SCHEMBL27937841 0.76 CDC25B (0.40) TLR8GPBAR1CYSLTR1HTR1BPDE10A
SCHEMBL15345467 0.76 HTR2A (0.44) HTR2AMEN1KMT2A
SCHEMBL9614088 0.75 MAPT (0.47) PDE10AKDM4EMAPTALDH1A1CYP1A2
SCHEMBL13131325 0.74 HPGD (0.43) KDM4EMAPK1TDP1MAPTALDH1A1

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 HTR2A 700/4885TLR8 2731/4885GPBAR1 1556/4885

“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.