SCHEMBL364451

SCHEMBL364451

Cc1cc(C#CC(=O)c2ccccc2)cc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.58
ALDH1A1 P00352 8/20 0.49
MAPT P10636 5/20 0.49
HSP90AA1 P07900 4/20 0.49
NPSR1 Q6W5P4 4/20 0.49
HTT P42858 3/20 0.49
OPRK1 P41145 2/20 0.49
S1PR2 O95136 1/20 0.49
NTSR1 P30989 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.46
USP2 O75604 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 1/20 0.42
APP P05067 1/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1390029 0.87 VCP (0.63) VCPALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL363798 0.78 ALDH1A1 (0.45) VCPALDH1A1MAPTHTTOPRK1
SCHEMBL17053169 0.78 ALDH1A1 (0.37) VCPALDH1A1MAPTNPSR1HTT
SCHEMBL978641 0.78 VCP (0.75) VCPALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL13077424 0.77 VCP (0.54) VCPALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL16582689 0.77 VCP (0.86) VCPALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL5592873 0.77 VCP (0.68) VCPALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL31614569 0.77 VCP (0.68) VCPALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL13077510 0.75 APP (0.69) VCPALDH1A1MAPTHSP90AA1NPSR1
SCHEMBL13377842 0.74 GRM5 (0.57) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 3623/4885ALDH1A1 132/4885MAPT 4149/4885

“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.