SCHEMBL12444682

SCHEMBL12444682

O=C(O)CCc1cn(-c2cc3ccc(O)cc3oc2=O)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRB O95718 1/20 0.48
▸ ESRRA P11474 1/20 0.48
▸ APP P05067 3/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ MIF P14174 6/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL19491276 0.84 ESRRB (0.47) ESRRBESRRAAPPADRA1AKDM4E
SCHEMBL23579530 0.78 APP (0.47) ESRRBESRRAAPPADRA1AKDM4E
SCHEMBL13315790 0.76 MIF (0.54) ALDH1A1HPGDMIFHSD17B3NPC1
SCHEMBL21626070 0.74 APP (0.43) ESRRBESRRAAPPADRA1ACA12
SCHEMBL21626064 0.74 ESRRB (0.44) ESRRBESRRAAPPADRA1ACA12
SCHEMBL17231342 0.74 APP (0.43) ESRRBESRRAAPPADRA1ACA12
SCHEMBL15782525 0.74 APP (0.43) ESRRBESRRAAPPADRA1ACA12
SCHEMBL21626102 0.74 APP (0.43) ESRRBESRRAAPPADRA1ACA12
SCHEMBL13315794 0.74 HDAC3 (0.51) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9436016 0.73 KDM4E (0.54) KDM4EGLAGAAALDH1A1HPGD

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-20110177619-A1 IN VITRO DIAGNOSTIC MARKERS COMPRISING CARBON NANOPARTICLES AND KITS PITLAB LTD (GB) 2011-07-21 — — US disclosed
US-20110177619-A1 IN VITRO DIAGNOSTIC MARKERS COMPRISING CARBON NANOPARTICLES AND KITS PITLAB LTD (GB) 2011-07-21 — — US disclosed
WO-2010008519-A2 IN VITRO DIAGNOSTIC MARKERS COMPRISING CARBON NANOPARTICLES AND KITS METTERS ANDREW (US) 2010-01-21 — — 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-20110177619-A1 IN VITRO DIAGNOSTIC MARKERS COMPRISING CARBON NANOPARTICLES AND KITS CD63, LGALS3, MKI67 ESRRB 2703/4885ESRRA 3103/4885APP 2312/4885

“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.

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