SCHEMBL1534429

SCHEMBL1534429

COc1cc(OC)c(C(=O)C#Cc2ccccc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
NLRP3 Q96P20 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 1/20 0.43
AGTR1 P30556 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL1534421 0.90 VCP (0.48) VCPKDM4EALDH1A1HPGDMAPT
SCHEMBL1534390 0.90 VCP (0.48) VCPKDM4EALDH1A1HPGDMAPT
SCHEMBL1534450 0.88 LCK (0.50) VCPKDM4EALDH1A1HPGDLMNA
SCHEMBL1534521 0.88 ALDH1A1 (0.44) VCPKDM4EALDH1A1HPGDLMNA
SCHEMBL1534607 0.87 VCP (0.44) VCPKDM4EALDH1A1HPGDLMNA
SCHEMBL27743169 0.84 VCP (0.54) VCPALDH1A1HPGDLMNAHTT
SCHEMBL12273408 0.84 HSD11B1 (0.53) VCPKDM4EALDH1A1CYP3A4MAPT
SCHEMBL1534499 0.82 GPR27 (0.45) VCPKDM4EALDH1A1HPGDLMNA
SCHEMBL1534316 0.82 VCP (0.47) VCPLMNAMAPTKMT2ANPC1
SCHEMBL1534734 0.82 POLB (0.49) VCPKDM4EALDH1A1HPGDLMNA

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 VCP 1895/4885KDM4E 1952/4885ALDH1A1 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.