SCHEMBL4286787

SCHEMBL4286787

Cc1ccc(C#N)c(OCc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
CNR1 P21554 3/20 0.52
MAOB P27338 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
SQOR Q9Y6N5 1/20 0.48
XDH P47989 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42

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
SCHEMBL15831934 0.88 HDAC1 (0.56) HDAC1CNR1L3MBTL1XDHGAA
SCHEMBL15831936 0.87 HDAC1 (0.52) HDAC1CNR1XDH
SCHEMBL15831942 0.87 HDAC1 (0.55) HDAC1CNR1MAOBL3MBTL1TSHR
SCHEMBL15831935 0.85 HDAC1 (0.54) HDAC1CNR1XDH
SCHEMBL15831946 0.85 HDAC1 (0.54) HDAC1CNR1XDH
SCHEMBL15831937 0.85 HDAC1 (0.48) HDAC1CNR1MAOBL3MBTL1GAA
SCHEMBL15831940 0.85 HDAC1 (0.48) HDAC1SQORTSHR
SCHEMBL15831943 0.83 HDAC1 (0.54) HDAC1CNR1XDH
SCHEMBL15831933 0.83 MPO (0.48) HDAC1CNR1MAOB
SCHEMBL15831945 0.82 HDAC1 (0.51) HDAC1CNR1MAOBL3MBTL1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 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 (2 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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 HDAC1 289/4885CNR1 661/4885MAOB 3258/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 HDAC1 4587/4885CNR1 19/4885MAOB 2509/4885

“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.