SCHEMBL1534418

SCHEMBL1534418

COc1cc(C#CC(=O)c2ccccc2)c(OC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.48
NTSR1 P30989 1/20 0.48
VCP P55072 1/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
ALDH1A1 P00352 3/20 0.44
S1PR2 O95136 1/20 0.44
OPRK1 P41145 1/20 0.44
NPC1 O15118 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1534387 0.94 HSP90AA1 (0.48) HSP90AA1NTSR1VCPMAPTHTT
SCHEMBL1534428 0.90 HSP90AA1 (0.51) HSP90AA1NTSR1VCPMAPTHTT
SCHEMBL1534448 0.84 CYP1A2 (0.50) HSP90AA1NTSR1VCPMAPTHTT
SCHEMBL1534604 0.83 HSP90AA1 (0.48) HSP90AA1NTSR1VCPMAPTHTT
SCHEMBL1534520 0.82 HPGD (0.50) HSP90AA1NTSR1VCPMAPTHTT
SCHEMBL27167227 0.80 HSP90AA1 (0.63) HSP90AA1NTSR1VCPMAPTHTT
SCHEMBL12273407 0.80 HSP90AA1 (0.48) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL1534315 0.79 HSP90AA1 (0.47) HSP90AA1NTSR1VCPMAPTHTT
SCHEMBL1534376 0.79 HSP90AA1 (0.50) HSP90AA1NTSR1VCPMAPTHTT
SCHEMBL1534733 0.79 HPGD (0.47) HSP90AA1NTSR1VCPMAPTHTT

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.