SCHEMBL13611193

SCHEMBL13611193

C=C1OB(c2ccc(-c3cnco3)cc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.46
LMNA P02545 2/20 0.46
NOTUM Q6P988 1/20 0.43
GAA P10253 1/20 0.43
PTK2 Q05397 1/20 0.41
KEAP1 Q14145 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LPL P06858 3/20 0.38
LIPG Q9Y5X9 3/20 0.38
LTA4H P09960 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IMPDH2 P12268 2/20 0.34
IMPDH1 P20839 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 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
SCHEMBL171878 0.80 LPL (0.58) PKMLMNANOTUMGAAPTK2
SCHEMBL13474635 0.79 LPL (0.38) LPLLIPG
SCHEMBL470305 0.75 LPL (0.30) LPLLIPG
SCHEMBL12607642 0.74 LPL (0.41) LPLLIPGALDH1A1
SCHEMBL13509394 0.73 LPL (0.34) LPLLIPG
SCHEMBL2756805 0.73 LPL (0.50) LPLLIPG
SCHEMBL13186080 0.73 LPL (0.34) LPLLIPG
SCHEMBL12510072 0.72 LIPG (0.47) LMNALPLLIPGKMT2AMEN1
SCHEMBL12512630 0.71 LPL (0.33) LPLLIPG
SCHEMBL10085659 0.71 LPL (0.33) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 PKM 1246/4885LMNA 4874/4885NOTUM 2377/4885

“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.