SCHEMBL1534450

SCHEMBL1534450

COc1cc(C(=O)C#Cc2ccccc2)c(OC)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
VCP P55072 2/20 0.43
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NLRP3 Q96P20 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HSP90AA1 P07900 1/20 0.39
AGTR1 P30556 1/20 0.39
PAX8 Q06710 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL1534521 0.94 ALDH1A1 (0.44) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL1534429 0.88 VCP (0.47) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL1534421 0.84 VCP (0.48) ALDH1A1HPGDKDM4EVCPPOLB
SCHEMBL1534734 0.83 POLB (0.49) ALDH1A1HPGDKDM4ECYP1A2CYP2C19
SCHEMBL1534499 0.83 GPR27 (0.45) LCKFYNALDH1A1HPGDKDM4E
SCHEMBL1534390 0.82 VCP (0.48) ALDH1A1HPGDKDM4EVCPPOLB
SCHEMBL1534607 0.82 VCP (0.44) ALDH1A1HPGDKDM4EVCPPOLB
SCHEMBL27743169 0.79 VCP (0.54) ALDH1A1HPGDVCPPOLBNPC1
SCHEMBL12273408 0.79 HSD11B1 (0.53) ALDH1A1KDM4ECYP2C19VCPPOLB
SCHEMBL1534377 0.78 GFER (0.44) ALDH1A1HPGDKDM4EVCPPOLB

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 LCK 62/4885FYN 301/4885ALDH1A1 4088/4885

“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.