SCHEMBL3377462

SCHEMBL3377462

O=c1cc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)[nH][nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
PDE4D Q08499 14/20 0.47
PDE4B Q07343 12/20 0.47
PDE4A P27815 12/20 0.47
PDE4C Q08493 10/20 0.47
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL3375192 0.85 MAPT (0.69) MAPTKDM4ETHRBPDE4DPDE4B
SCHEMBL3373532 0.82 MAPT (0.69) MAPTKDM4ETHRBPDE4DPDE4B
SCHEMBL8635918 0.77 PDE4D (0.69) PDE4DPDE4BPDE4APDE4C
SCHEMBL8633365 0.76 PDE4D (0.67) PDE4DPDE4BPDE4APDE4C
SCHEMBL3377465 0.74 PDE4D (0.46) PDE4DPDE4BPDE4APDE4C
SCHEMBL17003768 0.73 PDE4D (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL127193 0.72 PDE4D (0.39) PDE4DPDE4BPDE4APDE4C
SCHEMBL681776 0.71 PDE4B (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL1157303 0.71 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL6876750 0.71 PDE4D (0.56) PDE4DPDE4BPDE4APDE4C

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-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI MAPT 2810/4885KDM4E 4172/4885THRB 2909/4885

“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.