SCHEMBL4877248

SCHEMBL4877248

C=CCc1cc(CCl)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.60
GABRB2 P47870 9/20 0.60
ALOX5 P09917 4/20 0.60
CNR2 P34972 2/20 0.60
ALDH1A1 P00352 4/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
PTGS1 P23219 2/20 0.49
CYP3A4 P08684 2/20 0.49
AR P10275 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
TTR P02766 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL239781 0.86 GABRA1 (0.63) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL4877224 0.83 GABRA1 (0.60) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL4983937 0.83 GABRA1 (0.60) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL30776597 0.82 TTR (0.54) ALDH1A1PPARGPPARDPPARATTR
SCHEMBL5598123 0.82 TTR (0.54) ALDH1A1PPARGPPARDPPARATTR
SCHEMBL810222 0.79 TTR (0.49) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL29096048 0.79 PTGDR (0.59) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL251558 0.79 GABRA1 (0.71) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL9705593 0.77 TTR (0.50) TTR
SCHEMBL2848289 0.77 ALOX5 (0.56) GABRA1GABRB2ALOX5CNR2ALDH1A1

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
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP GABRA1 279/4885GABRB2 215/4885ALOX5 2421/4885

“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.