SCHEMBL6586037

SCHEMBL6586037

COc1ccc2c(=O)[nH]ncc2c1OCCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.53
PDE4A P27815 5/20 0.53
PDE4B Q07343 5/20 0.53
PDE4C Q08493 5/20 0.53
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
SCN9A Q15858 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6585981 0.76 PDE4D (0.70) PDE4DPDE4APDE4BPDE4CCNR2
SCHEMBL6586028 0.76 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL6586601 0.70 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL7350252 0.68 NPC1 (0.55) SCN9A
SCHEMBL6586957 0.67 GRM5 (0.41) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL24861080 0.66 ALDH1A1 (0.59) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL7354018 0.66 BCHE (0.54)
SCHEMBL8684095 0.66 PDE4A (0.64) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL19612694 0.66 GPR84 (0.53) CNR2CNR1
SCHEMBL4415634 0.65 CNR2 (0.81) CNR2CNR1KDM4EALDH1A1

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 PDE4D 22/4885PDE4A 7/4885PDE4B 9/4885

“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.