SCHEMBL1534428

SCHEMBL1534428

COc1cc(OC)c(OC)cc1C#CC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.51
NTSR1 P30989 1/20 0.51
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
S1PR2 O95136 1/20 0.47
ALDH1A1 P00352 1/20 0.47
OPRK1 P41145 1/20 0.47
VCP P55072 1/20 0.44
NPC1 O15118 2/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
TNFRSF1A P19438 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 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
SCHEMBL1534387 0.90 HSP90AA1 (0.48) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL1534418 0.90 HSP90AA1 (0.48) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL1534520 0.88 HPGD (0.50) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL1534448 0.88 CYP1A2 (0.50) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL1534604 0.87 HSP90AA1 (0.48) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL7461115 0.85 MAPT (0.48) MAPTNPSR1ALDH1A1NPC1CA12
SCHEMBL7456966 0.85 ABCG2 (0.47) MAPTNPSR1HPGDCYP1A2CYP2C19
SCHEMBL27167227 0.84 HSP90AA1 (0.63) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL12273407 0.84 HSP90AA1 (0.48) HSP90AA1NTSR1MAPTHTTNPSR1
SCHEMBL7454307 0.83 CYP1A1 (0.48) MAPTALDH1A1NPC1CYP1A2CYP2D6

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 4367/4885MAPT 640/4885

“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.