SCHEMBL1534465

SCHEMBL1534465

COc1c(F)cccc1C#CC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.51
NTSR1 P30989 1/20 0.51
VCP P55072 2/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
OPRK1 P41145 2/20 0.38
S1PR2 O95136 1/20 0.38
KRAS P01116 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37
APP P05067 1/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36

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
SCHEMBL1534485 0.84 HSP90AA1 (0.53) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL1534678 0.83 HSP90AA1 (0.51) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL1534616 0.78 HSP90AA1 (0.49) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL27167227 0.77 HSP90AA1 (0.63) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL1534402 0.77 NPC1 (0.42) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL1534604 0.77 HSP90AA1 (0.48) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL1534560 0.75 HSP90AA1 (0.46) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL1534333 0.75 HSP90AA1 (0.46) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL1534428 0.75 HSP90AA1 (0.51) HSP90AA1NTSR1VCPALDH1A1MAPT
SCHEMBL1534467 0.74 NPC1 (0.44) HSP90AA1VCPALDH1A1MAPTNPSR1

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.