SCHEMBL15345837

SCHEMBL15345837

CCCOc1cccc2ccc(CN)cc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.55
MCHR1 Q99705 2/20 0.49
HTR1B P28222 9/20 0.49
HTR1D P28221 3/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TLR8 Q9NR97 1/20 0.42
CYP2A6 P11509 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 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
SCHEMBL15345351 0.88 CSNK2A1 (0.55) CSNK2A1MCHR1HTR1BHTR1DTLR8
SCHEMBL15345486 0.88 HTR1B (0.44) CSNK2A1HTR1BTLR8CYP2A6
SCHEMBL15345390 0.81 DHODH (0.46) MCHR1HTR1B
SCHEMBL7835596 0.80 CYP2A6 (0.50) MCHR1HTR1BHTR1DCNR1CNR2
SCHEMBL15473247 0.80 HTR1B (0.49) MCHR1HTR1BHTR1DCNR1CNR2
SCHEMBL15772531 0.80 MTNR1A (0.52) MCHR1HTR1BHTR1DCNR1CNR2
Ammonia Solution, Strong SCHEMBL27919268 0.78 CYP2A6 (0.49) MCHR1HTR1BHTR1DCNR1CNR2
SCHEMBL7835592 0.78 HTR1B (0.48) MCHR1HTR1BHTR1DCNR1CNR2
SCHEMBL15473235 0.77 MTNR1A (0.51) MCHR1HTR1BHTR1DCNR1CNR2
SCHEMBL2116954 0.77 HTR1B (0.70) HTR1BHTR1DCNR1CNR2SLC6A4

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 CSNK2A1 2918/4885MCHR1 50/4885HTR1B 163/4885

“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.