SCHEMBL15345355

SCHEMBL15345355

CCCCCCCCCCc1ccc2c(CN)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
HTR2A P28223 2/20 0.47
TLR8 Q9NR97 9/20 0.47
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
DRD2 P14416 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL15345306 1.00 S1PR1 (0.53) S1PR1S1PR3HTR2ATLR8HTR1A
SCHEMBL15345477 0.94 S1PR1 (0.47) S1PR1S1PR3HTR2ATLR8HTR1A
SCHEMBL11230398 0.89 S1PR1 (0.56) S1PR1S1PR3TLR8
SCHEMBL15345485 0.88 TLR8 (0.53) S1PR1S1PR3HTR2ATLR8
SCHEMBL15345398 0.88 HTR1A (0.49) HTR2ATLR8HTR1AHTR1DHTR1B
SCHEMBL15345397 0.88 TLR8 (0.53) S1PR1S1PR3HTR2ATLR8
SCHEMBL15345850 0.88 HTR1A (0.49) HTR2ATLR8HTR1AHTR1DHTR1B
SCHEMBL15515682 0.84 S1PR1 (0.52) S1PR1S1PR3TLR8HTR1AHTR1D
SCHEMBL15345367 0.84 MAPT (0.47) S1PR1S1PR3HTR2ATLR8HTR1A
SCHEMBL15345462 0.84 MAPT (0.47) S1PR1S1PR3HTR2ATLR8HTR1A

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 S1PR1 680/4885S1PR3 445/4885HTR2A 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.