SCHEMBL2847535

SCHEMBL2847535

COC(=O)C(C)(C)C(=O)c1ccc(OC)c2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
KDM4E B2RXH2 6/20 0.54
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 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
SCHEMBL13354285 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL20952065 0.82 KDM4E (0.77) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4022814 0.80 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKDM4E
Ethane SCHEMBL27474713 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL6984422 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4699764 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL2841835 0.79 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKMT2A
Ethane SCHEMBL27460273 0.78 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL4703616 0.78 PDE4D (0.61) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL2849950 0.77 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E

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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A PDE4A 5/4885PDE4B 6/4885PDE4C 15/4885

“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.