SCHEMBL15345787

SCHEMBL15345787

CCCOc1ccc2c(CN)cccc2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.46
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
DHFR P00374 1/20 0.41
AGXT P21549 2/20 0.41
KMT2A Q03164 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MTNR1B P49286 1/20 0.39

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
SCHEMBL15345308 0.88 MTNR1A (0.58) MTNR1AHTR1AHTR1BMTNR1B
SCHEMBL15345386 0.88 TP53 (0.46) MTNR1AAGXTKMT2AMAPK1TDP1
SCHEMBL15345768 0.83 HTR2A (0.41) HTR1AHTR1BAGXTKMT2AGPBAR1
SCHEMBL25016955 0.83 HTR1B (0.47) HTR1BKDM4E
SCHEMBL15345391 0.81 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL15772317 0.80 KCNA3 (0.50) HTR1BKMT2A
SCHEMBL14685997 0.78 KMT2A (0.46) MTNR1AKMT2AGPBAR1CYSLTR1KDM4E
SCHEMBL15599989 0.78 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL15772638 0.77 TUBB4A (0.48) MTNR1AKMT2AGPBAR1CYSLTR1KDM4E
SCHEMBL27919208 0.76 MTNR1A (0.43) MTNR1ADHFRKMT2AGPBAR1CYSLTR1

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 MTNR1A 865/4885HTR1A 173/4885HTR1B 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.