SCHEMBL4773364

SCHEMBL4773364

[CH2]c1nccc(OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
UHRF1 Q96T88 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL1650165 0.78 SMN1; SMN2 (0.38) ALDH1A1CCR1CCR5CCR8PDGFRB
SCHEMBL31278202 0.77 MAOA (0.42) ALDH1A1CCR1CCR5CCR8PDGFRB
SCHEMBL4080571 0.77 MAOA (0.42) ALDH1A1CCR1CCR5CCR8PDGFRB
SCHEMBL5657009 0.77 KDM4E (0.43) ALDH1A1GAACA1CA2
SCHEMBL31147147 0.76 MAOA (0.41) DYRK1AALDH1A1CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL27652560 0.76 MAOA (0.46) ALDH1A1CCR1CCR5CCR8PDGFRB
SCHEMBL4074890 0.76 ALDH1A1 (0.44) ALDH1A1CCR1CCR5CCR8GAA
SCHEMBL7983513 0.75 MAPT (0.36) ALDH1A1GAA
SCHEMBL30949939 0.74 HPGD (0.37) ALDH1A1CCR1CCR5CCR8PDGFRB
SCHEMBL4074317 0.74 ALDH1A1 (0.36) ALDH1A1CCR1CCR5CCR8PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 DYRK1A 3652/4885ALDH1A1 2159/4885CCNB2 50/4885

“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.