SCHEMBL1534560

SCHEMBL1534560

COc1nccc(C#CC(=O)c2ccccc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
NTSR1 P30989 1/20 0.46
VCP P55072 1/20 0.39
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
APP P05067 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
S1PR2 O95136 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KRAS P01116 1/20 0.34
TSHR P16473 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
SCHEMBL1534488 0.85 HSP90AA1 (0.44) HSP90AA1NTSR1VCPAPPS1PR2
SCHEMBL1534391 0.83 HSP90AA1 (0.51) HSP90AA1NTSR1VCPAPPFLT4
SCHEMBL1534616 0.76 HSP90AA1 (0.49) HSP90AA1NTSR1VCPS1PR2ALDH1A1
SCHEMBL1534485 0.76 HSP90AA1 (0.53) HSP90AA1NTSR1VCPS1PR2ALDH1A1
SCHEMBL1534561 0.76 VCP (0.42) HSP90AA1VCPAPPALDH1A1MAPT
SCHEMBL1534678 0.75 HSP90AA1 (0.51) HSP90AA1NTSR1VCPAPPS1PR2
SCHEMBL1534465 0.75 HSP90AA1 (0.51) HSP90AA1NTSR1VCPAPPS1PR2
SCHEMBL1534475 0.74 POLB (0.48) HSP90AA1NTSR1VCPAPPS1PR2
SCHEMBL1534333 0.73 HSP90AA1 (0.46) HSP90AA1NTSR1VCPS1PR2ALDH1A1
SCHEMBL27167227 0.72 HSP90AA1 (0.63) HSP90AA1NTSR1VCPAPPS1PR2

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
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR HSP90AA1 1265/4885NTSR1 4367/4885VCP 1895/4885

“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.