SCHEMBL5484157

SCHEMBL5484157

CCOC(=O)C1(CC#Cc2ccc(OC(F)(F)F)cc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.41
ACACB O00763 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
F10 P00742 2/20 0.39
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PDE2A O00408 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL28768495 0.84 ACACB (0.41) ACACBSLC6A4SLC6A3EPHX2
SCHEMBL5482423 0.75 LMNA (0.41) LMNAACACBSLC6A4SLC6A3HRH3
SCHEMBL5485919 0.75 PPARD (0.40) LMNAHRH2HRH1
SCHEMBL5484802 0.74 ACACB (0.36) LMNAACACBALDH1A1SLC6A4SLC6A3
SCHEMBL5481366 0.72 PTGS2 (0.39) ACACBKMT2AMEN1SLC6A4SLC6A3
SCHEMBL5483465 0.72 PPARD (0.41) LMNAHRH2HRH1
SCHEMBL1760955 0.71 ALDH1A1 (0.46) POLBLMNAKMT2AMEN1ALDH1A1
SCHEMBL11345857 0.70 SMN1; SMN2 (0.38) POLBKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL28766882 0.70 ACACB (0.51) POLBLMNAACACBKMT2AALDH1A1
SCHEMBL16839833 0.70 EPHX2 (0.47) POLBLMNAKMT2AALDH1A1SMN1; SMN2

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-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG POLB 1866/4885LMNA 1426/4885ACACB 47/4885

“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.