SCHEMBL15345558

SCHEMBL15345558

CCCCCCCCCCc1cccc2ccc(CN)cc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.53
MTNR1A P48039 3/20 0.44
HTR2A P28223 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL15345419 1.00 TLR8 (0.53) TLR8MTNR1AHTR2AHTR1AHTR1D
SCHEMBL15345359 0.94 TLR8 (0.49) TLR8MTNR1AHTR1A
SCHEMBL9770069 0.89 TLR8 (0.47) TLR8MTNR1AHTR1AHTR1DHTR1B
SCHEMBL8021705 0.89 TLR8 (0.55) TLR8HTR2AHTR1AHTR1DHTR1B
SCHEMBL15345397 0.88 TLR8 (0.53) TLR8HTR2A
SCHEMBL15345850 0.88 HTR1A (0.49) TLR8HTR2AHTR1AHTR1DHTR1B
SCHEMBL15345485 0.88 TLR8 (0.53) TLR8HTR2A
SCHEMBL15345398 0.88 HTR1A (0.49) TLR8HTR2AHTR1AHTR1DHTR1B
SCHEMBL30589485 0.88 TLR8 (0.46) TLR8MTNR1AHTR1AHTR1DHTR1B
SCHEMBL8034939 0.87 TLR8 (0.56) TLR8HTR2AHTR1AHTR1DHTR1B

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 2731/4885MTNR1A 865/4885HTR2A 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.