SCHEMBL1390293

SCHEMBL1390293

COc1ccc(C(=O)C#Cc2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.55
NNMT P40261 2/20 0.53
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
OXTR P30559 1/20 0.46
APP P05067 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRM5 P41594 3/20 0.44
HAO1 Q9UJM8 1/20 0.43
ACACB O00763 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 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
SCHEMBL363299 0.87 VCP (0.49) VCPNNMTKMT2AMEN1ALDH1A1
SCHEMBL6821195 0.78 GRM5 (0.56) APPGRM5HAO1ACACB
SCHEMBL10069798 0.77 APP (0.72) VCPKMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL10625119 0.76 VCP (0.81) VCPKMT2AMEN1ALDH1A1HSP90AA1
SCHEMBL22031720 0.75 ACACB (0.51) NNMTKMT2AMEN1ALDH1A1MAPT
SCHEMBL29757598 0.74 NNMT (0.70) NNMTALDH1A1MAPTOXTRMKNK1
SCHEMBL185291 0.74 NNMT (0.70) NNMTALDH1A1MAPTOXTRMKNK1
SCHEMBL1534476 0.73 POLB (0.59) VCPNNMTKMT2AMEN1ALDH1A1
SCHEMBL703607 0.73 NNMT (0.68) NNMTALDH1A1MAPTOXTRMKNK1
SCHEMBL18228074 0.72 NNMT (0.72) NNMTKMT2AMEN1ALDH1A1MAPT

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 3 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
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 3623/4885NNMT 3132/4885KMT2A 3981/4885

“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.