SCHEMBL4013360

SCHEMBL4013360

O=c1ccc2ccc(CCl)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.62
CA9 Q16790 6/20 0.62
CA1 P00915 5/20 0.62
CA4 P22748 5/20 0.62
CA5A P35218 5/20 0.62
CA7 P43166 5/20 0.62
CA14 Q9ULX7 5/20 0.62
CA3 P07451 4/20 0.62
CA5B Q9Y2D0 4/20 0.62
CA2 P00918 3/20 0.62
CYP19A1 P11511 3/20 0.58
DRD4 P21917 4/20 0.56
MAOB P27338 3/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GLA P06280 2/20 0.53
AKR1B1 P15121 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL31741273 0.87 CA12 (0.69) CA12CA9CA1CA4CA5A
SCHEMBL28085698 0.82 CA12 (0.64) CA12CA9CA1CA4CA5A
SCHEMBL29603488 0.81 CA12 (0.77) CA12CA9CA1CA4CA5A
SCHEMBL2978737 0.81 CA12 (0.62) CA12CA9CA1CA4CA5A
SCHEMBL3326190 0.81 CA12 (0.77) CA12CA9CA1CA4CA5A
SCHEMBL295803 0.81 CA12 (0.77) CA12CA9CA1CA4CA5A
SCHEMBL8750116 0.81 CA12 (0.62) CA12CA9CA1CA4CA5A
SCHEMBL4430920 0.80 CA12 (0.60) CA12CA9CA1CA4CA5A
SCHEMBL24017191 0.79 CA12 (0.60) CA12CA9CA1CA4CA5A
SCHEMBL16271239 0.78 SRD5A1 (0.60) CA12CA9CA1CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531540-B2 Phthalazinone-piperidino-derivatives as PDE4 inhibitors NYCOMED GMBH (DE) 2009-05-12 US disclosed
US-20070129373-A1 Phthalazinone-piperidino-derivatives as PDE4 inhibitors ALTANA PHARMA AG 2007-06-07 US disclosed
US-7179810-B2 Such as 2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-2H-acetamide; phosphodiesterase inhibitors; for treatment of respiratory disorders ALTANA PHARMA AG (DE) 2007-02-20 US disclosed
US-20050234062-A1 Phthalazinone-piperidino-derivatives as PDE4 inhibitors ALTANA PHARMA AG 2005-10-20 US disclosed
US-6953853-B2 Phospholipase inhbitors; antiinflammatory agents; respiratory system disorders ALTANA PHARMA AG (DE) 2005-10-11 US disclosed
CN-1524080-A Phthalatyinone-piperidino-derivatives as pde4 inhibitors ��̹��ҽҩ��˾ 2004-08-25 CN disclosed
US-20040067946-A1 Phthalatyinone-piperidino-derivatives as pde4 inhibitors TAKEDA GMBH (DE) 2004-04-08 US disclosed
EP-1362044-A1 PHTHALAZINONE-PIPERIDINO-DERIVATIVES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2003-11-19 EP disclosed
WO-2002064584-A1 PHTHALAYINONE-PIPERIDINO-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2002-08-22 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 (3 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-20040067946-A1 Phthalatyinone-piperidino-derivatives as pde4 inhibitors PDE4A, PDE4B, PDE5A CA12 3974/4885CA9 1327/4885CA1 3463/4885
US-20070129373-A1 Phthalazinone-piperidino-derivatives as PDE4 inhibitors PDE4A, PDE4B, PDE5A CA12 4297/4885CA9 2129/4885CA1 3865/4885
US-20050234062-A1 Phthalazinone-piperidino-derivatives as PDE4 inhibitors PDE4A, PDE4B, PDE5A CA12 4297/4885CA9 2129/4885CA1 3865/4885

“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.