SCHEMBL1534499

SCHEMBL1534499

COc1cc(Br)ccc1C(=O)C#Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
VCP P55072 2/20 0.43
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
NLRP3 Q96P20 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
RRM1 P23921 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
SCHEMBL1534734 0.89 POLB (0.49) HPGDKDM4EALDH1A1VCPKMT2A
SCHEMBL1534450 0.83 LCK (0.50) HPGDKDM4EALDH1A1VCPKMT2A
SCHEMBL1534377 0.83 GFER (0.44) HPGDKDM4EALDH1A1VCPKMT2A
SCHEMBL1534521 0.83 ALDH1A1 (0.44) HPGDKDM4EALDH1A1VCPKMT2A
SCHEMBL28547613 0.83 NPC1 (0.45) HPGDVCPKMT2ANPC1RAB9A
SCHEMBL1534429 0.82 VCP (0.47) HPGDKDM4EALDH1A1VCPKMT2A
SCHEMBL8653653 0.82 KMT2A (0.48) GPR27HPGDALDH1A1VCPKMT2A
SCHEMBL27743169 0.82 VCP (0.54) HPGDALDH1A1VCPKMT2APOLB
SCHEMBL1534334 0.80 VCP (0.42) HPGDKDM4EALDH1A1VCPKMT2A
SCHEMBL1534390 0.79 VCP (0.48) HPGDKDM4EALDH1A1VCPKMT2A

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 GPR27 3006/4885HPGD 1880/4885KDM4E 1952/4885

“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.