SCHEMBL3377680

SCHEMBL3377680

CCC(CC)Oc1cc(C2=CC(=O)N=N2)ccc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.38
PDE4A P27815 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
GAK O14976 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 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
SCHEMBL3377681 0.78 SMPD1 (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL3374953 0.74 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL3375194 0.73 PDE4A (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL3374189 0.73 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL3373175 0.69 PDE4D (0.50) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL24305883 0.67 SLC6A2 (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6864799 0.67 ALDH1A1 (0.66) HTTMAPTMEN1KMT2ALMNA
SCHEMBL3373440 0.66 ALDH1A1 (0.50) MAPK1MAPTMEN1GAAKMT2A
SCHEMBL7355672 0.66 CA12 (0.67) MAPK1HTTLMNACYP1A2CYP2C9
SCHEMBL17210749 0.66 CA1 (0.59) MAPK1HTTMEN1KMT2ALMNA

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 PDE4B 1700/4885PDE4A 1796/4885PDE4C 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.