SCHEMBL3913263

SCHEMBL3913263

C=CCCOc1cc(=O)oc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.74
CA1 P00915 2/20 0.74
CA9 Q16790 2/20 0.74
KCNA3 P22001 1/20 0.64
MAOB P27338 1/20 0.56
CYP19A1 P11511 1/20 0.54
ALOX15 P16050 2/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2A6 P11509 1/20 0.51

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
SCHEMBL29393962 0.85 CA12 (1.00) CA12CA1CA9KCNA3MAOB
SCHEMBL8515316 0.85 CA12 (1.00) CA12CA1CA9KCNA3MAOB
SCHEMBL3492605 0.81 KCNA3 (0.69) CA12CA1CA9KCNA3MAOB
SCHEMBL3911837 0.81 KCNA3 (0.69) CA12CA1CA9KCNA3MAOB
SCHEMBL6592785 0.81 KCNA3 (0.69) CA12CA1CA9KCNA3MAOB
SCHEMBL3912517 0.79 KCNA3 (0.72) CA12CA1CA9KCNA3MAOB
Hydrochloric Acid SCHEMBL31460826 0.79 KCNA3 (0.68) CA12CA1CA9KCNA3MAOB
SCHEMBL6599915 0.79 KCNA3 (0.72) CA12CA1CA9KCNA3MAOB
SCHEMBL24523000 0.78 KCNA3 (0.70) CA12CA1CA9KCNA3MAOB
SCHEMBL6588939 0.78 KCNA3 (0.74) CA12CA1CA9KCNA3MAOB

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
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 EP claimed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO claimed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 US claimed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 US disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 US disclosed
US-7538233-B2 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-05-26 US disclosed
EP-1667988-A1 COUMARINS AS INOS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-06-14 EP disclosed
WO-2005026143-A1 COUMARINS AS INOS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO disclosed
US-20050054681-A1 Coumarins as iNOS inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 US 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-20050054681-A1 Coumarins as iNOS inhibitors NOS2, NOS1, NOS3 CA12 3287/4885CA1 934/4885CA9 1290/4885

“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.