SCHEMBL4873148

SCHEMBL4873148

C=CCc1cc(CO)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH2 P05091 1/20 0.39
AKR1B1 P15121 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL4678573 0.85 XDH (0.48) XDHGABRA1GABRB2MAPTALDH1A1
SCHEMBL4874369 0.81 XDH (0.36) XDHGABRA1GABRB2MAPTALDH1A1
SCHEMBL28182676 0.80 CYP4F2 (0.47) CYP4F2CYP4A11MAPTMEN1KMT2A
SCHEMBL3956279 0.79 XDH (0.55) XDHGABRA1GABRB2MAPTALDH1A1
SCHEMBL7412533 0.79 GABRA1 (0.63) XDHGABRA1GABRB2MAPTALDH1A1
SCHEMBL23027981 0.78 XDH (0.40) XDHGABRA1GABRB2MAPTALDH1A1
SCHEMBL12833025 0.76 PSEN1 (0.40) GABRA1GABRB2ALDH1A1PPARGPPARD
SCHEMBL6283834 0.75 CA12 (0.42) XDHGABRA1GABRB2MAPTALDH1A1
SCHEMBL2386178 0.75 CYP4F2 (0.43) CYP4F2CYP4A11KIF11PARP1
SCHEMBL17508770 0.75 CYP4F2 (0.43) CYP4F2CYP4A11KDM4ENPSR1KIF11

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 XDH 2177/4885CYP4F2 1621/4885CYP4A11 266/4885

“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.