SCHEMBL5482423

SCHEMBL5482423

OCC1(CC#Cc2ccc(OC(F)(F)F)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SLC6A4 P31645 13/20 0.39
ACACB O00763 1/20 0.38
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
PIM1 P11309 1/20 0.37
SLC6A3 Q01959 8/20 0.35
SLC6A2 P23975 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
FFAR1 O14842 1/20 0.33

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
SCHEMBL5484802 0.87 ACACB (0.36) LMNASLC6A4ACACBMAOBAOC3
SCHEMBL28768495 0.80 ACACB (0.41) SLC6A4ACACBMAOBAOC3SLC6A3
SCHEMBL5481366 0.80 PTGS2 (0.39) SLC6A4ACACBSLC6A3SLC6A2
SCHEMBL80921 0.77 ACACB (0.46) LMNAACACBMAOBAOC3HRH3
SCHEMBL5484157 0.75 POLB (0.42) LMNASLC6A4ACACBSLC6A3HRH3
SCHEMBL20552125 0.74 POLB (0.42) LMNAHRH3
SCHEMBL16841023 0.73 ACACB (0.44) LMNASLC6A4ACACBMAOBAOC3
SCHEMBL20552808 0.73 HRH3 (0.41) LMNAHRH3
SCHEMBL3874694 0.72 GABRP (0.44) LMNAACACBMAOBAOC3HRH3
SCHEMBL28659226 0.71 ACACB (0.50) ACACBMAOBAOC3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1997619-B Ethynyl containing phenyl derivatives HOFFMANN LA ROCHE 2010-08-25 CN disclosed
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
CN-1997619-A Phenyl derivatives comprising an acetylene group HOFFMANN LA ROCHE (CH) 2007-07-11 CN 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 LMNA 1426/4885SLC6A4 4267/4885ACACB 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.