SCHEMBL1534485

SCHEMBL1534485

COc1cccc(C#CC(=O)c2ccccc2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
NTSR1 P30989 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.43
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
VCP P55072 1/20 0.42
ALDH1A1 P00352 3/20 0.42
S1PR2 O95136 1/20 0.42
OPRK1 P41145 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NFE2L2 Q16236 2/20 0.41

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
SCHEMBL1534616 0.88 HSP90AA1 (0.49) HSP90AA1NTSR1L3MBTL1MAPTNPC1
SCHEMBL27167227 0.88 HSP90AA1 (0.63) HSP90AA1NTSR1L3MBTL1MAPTLMNA
SCHEMBL3826877 0.84 CA12 (0.46) L3MBTL1MAPTLMNANPC1ALDH1A1
SCHEMBL1534465 0.84 HSP90AA1 (0.51) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL1534678 0.84 HSP90AA1 (0.51) HSP90AA1NTSR1MAPTLMNANPC1
SCHEMBL1534428 0.82 HSP90AA1 (0.51) HSP90AA1NTSR1L3MBTL1MAPTLMNA
SCHEMBL1534333 0.82 HSP90AA1 (0.46) HSP90AA1NTSR1L3MBTL1MAPTNPC1
SCHEMBL1534418 0.78 HSP90AA1 (0.48) HSP90AA1NTSR1L3MBTL1MAPTLMNA
SCHEMBL9192315 0.78 ALDH1A1 (0.50) HSP90AA1MAPTHTTNPSR1POLB
SCHEMBL1534315 0.77 HSP90AA1 (0.47) HSP90AA1NTSR1L3MBTL1MAPTLMNA

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 4367/4885L3MBTL1 4396/4885

“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.