SCHEMBL6586411

SCHEMBL6586411

CCc1n[nH]c(=O)c2cc(OC3CCCC3)c(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.54
PDE4D Q08499 10/20 0.54
PDE4A P27815 9/20 0.54
PDE4C Q08493 9/20 0.54
ENPP1 P22413 4/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
AR P10275 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
CDK1 P06493 1/20 0.41
CSF1R P07333 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 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
SCHEMBL6584103 0.84 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CENPP1
SCHEMBL6583660 0.75 PDE4A (0.71) PDE4BPDE4DPDE4APDE4CKDR
SCHEMBL6584311 0.75 PDE4A (0.47) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL6583628 0.72 ENPP1 (0.46) PDE4BPDE4DPDE4APDE4CENPP1
SCHEMBL6584614 0.70 PDE4D (1.00) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL27987997 0.69 SRC (0.48) PDE4BPDE4DPDE4APDE4CKDR
SCHEMBL25548688 0.69 CYP2C9 (0.70) PDE4BPDE4DPDE4APDE4CENPP1
SCHEMBL29059331 0.68 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL30544697 0.68 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL29059335 0.68 PDE4D (0.45) PDE4BPDE4DPDE4APDE4CCHEK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors ZAMBON GROUP S.P.A 2004-03-04 US disclosed
EP-1042300-B1 PHTHALAZINE DERIVATIVES USEFUL AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-02-11 EP disclosed
US-6589951-B1 N right-arrowO derivatives and pharmaceutically acceptable salt thereof are PDE 4 and TNF pharmaceutically acceptable salt thereof are PDE 4 and TNF alpha inhibitors. ZAMBON GROUP S.P.A. (IT) 2003-07-08 US disclosed
EP-1042300-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2000-10-11 EP disclosed
WO-1999032456-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 1999-07-01 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-20040043999-A1 Phthalazine derivatives as phosphodiesterase 4-inhibitors PDE5A, PDE3B, PDE3A PDE4B 9/4885PDE4D 22/4885PDE4A 7/4885

“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.