SCHEMBL3370231

SCHEMBL3370231

COc1ccc(-c2cc(=O)n(C3CCCC3)[nH]2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.52
PDE4B Q07343 17/20 0.51
PDE4C Q08493 17/20 0.51
PDE4D Q08499 17/20 0.51
VEGFA P15692 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CREBBP Q92793 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
SCHEMBL3770826 0.86 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL3373719 0.81 PDE4B (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL3765559 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL3376476 0.78 PDE4B (0.67) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3375192 0.77 MAPT (0.69) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL5823060 0.76 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL3376037 0.75 PDE4B (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL3375218 0.74 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7291283 0.74 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL8523190 0.73 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DVEGFA

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 PDE4A 1796/4885PDE4B 1700/4885PDE4C 2308/4885

“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.