SCHEMBL1534520

SCHEMBL1534520

COc1cc(OC)c(C#CC(=O)c2ccccc2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSP90AA1 P07900 2/20 0.47
NTSR1 P30989 1/20 0.47
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
S1PR2 O95136 1/20 0.40
OPRK1 P41145 1/20 0.40
VCP P55072 1/20 0.40
PKM P14618 1/20 0.40
SCD O00767 1/20 0.38
NPC1 O15118 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
SCHEMBL1534448 0.94 CYP1A2 (0.50) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL1534428 0.88 HSP90AA1 (0.51) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL1534387 0.87 HSP90AA1 (0.48) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL1534498 0.83 HSP90AA1 (0.50) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL1534733 0.83 HPGD (0.47) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL1534604 0.82 HSP90AA1 (0.48) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL1534418 0.82 HSP90AA1 (0.48) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL27167227 0.79 HSP90AA1 (0.63) HSP90AA1NTSR1ALDH1A1L3MBTL1LMNA
SCHEMBL12273407 0.79 HSP90AA1 (0.48) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL1534315 0.78 HSP90AA1 (0.47) HPGDCYP1A2CYP2D6CYP2C19HSP90AA1

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 HPGD 1880/4885CYP1A2 4256/4885CYP2D6 3300/4885

“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.