SCHEMBL1534486

SCHEMBL1534486

COc1cccc(C(=O)C#Cc2ccccc2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
GAA P10253 2/20 0.46
VCP P55072 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NLRP3 Q96P20 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
SCHEMBL1534617 0.88 MAPT (0.46) NPC1RAB9AVCPALDH1A1POLB
SCHEMBL27743169 0.88 VCP (0.54) NPC1RAB9AVCPALDH1A1LMNA
SCHEMBL1534467 0.84 NPC1 (0.44) NPC1RAB9AVCPALDH1A1POLB
SCHEMBL1534679 0.84 VCP (0.44) NPC1RAB9AVCPALDH1A1POLB
SCHEMBL1534334 0.82 VCP (0.42) NPC1RAB9AGAAVCPALDH1A1
SCHEMBL1534429 0.79 VCP (0.47) NPC1RAB9AVCPALDH1A1LMNA
SCHEMBL28545080 0.78 SMN1; SMN2 (0.51) NPC1RAB9AGAAVCPLMNA
SCHEMBL9189943 0.78 VCP (0.54) VCPALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL28546116 0.77 SMN1; SMN2 (0.53) NPC1RAB9AGAAVCPLMNA
SCHEMBL1534316 0.77 VCP (0.47) NPC1RAB9AGAAVCPLMNA

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 NPC1 835/4885RAB9A 1165/4885GAA 523/4885

“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.