SCHEMBL363299

SCHEMBL363299

COc1ccc(C#CC(=O)c2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.49
APP P05067 1/20 0.47
HAO1 Q9UJM8 2/20 0.46
NNMT P40261 1/20 0.46
ACACB O00763 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GRM5 P41594 1/20 0.45
OXTR P30559 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL1390293 0.87 VCP (0.55) VCPAPPHAO1NNMTACACB
SCHEMBL22031720 0.83 ACACB (0.51) HAO1NNMTACACBNPC1RAB9A
SCHEMBL6821195 0.79 GRM5 (0.56) APPHAO1ACACBGRM5
SCHEMBL10069797 0.78 APP (0.72) VCPAPPNPC1RAB9AKMT2A
SCHEMBL1534475 0.74 POLB (0.48) VCPAPPNNMTNPC1RAB9A
SCHEMBL978641 0.73 VCP (0.75) VCPAPPNPC1RAB9AKMT2A
SCHEMBL16582689 0.73 VCP (0.86) VCPAPPNPC1RAB9AKMT2A
SCHEMBL3451992 0.72 VCP (0.48) VCPAPPNPC1RAB9AKMT2A
SCHEMBL9193189 0.72 FFAR1 (0.60) APPNPC1RAB9AALDH1A1POLB
SCHEMBL17761625 0.72 GRM5 (0.55) HAO1NNMTACACBGRM5MKNK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 VCP 3623/4885APP 1029/4885HAO1 169/4885

“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.