SCHEMBL3064748

SCHEMBL3064748

O=c1ccc2ccc(CO)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CA3 P07451 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ CA6 P23280 2/20 0.48
▸ CA5A P35218 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ CA5B Q9Y2D0 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA13 Q8N1Q1 1/20 0.48
▸ DAO P14920 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ F11 P03951 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ FEN1 P39748 1/20 0.41
▸ PDE3B Q13370 2/20 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
SCHEMBL19376174 0.87 CA12 (0.55) CA12CA9CA3CA4CA6
SCHEMBL18944067 0.85 CA12 (0.46) CA12CA9CA3CA4CA6
SCHEMBL18944071 0.82 PDE3B (0.49) CA12CA9CA3CA4CA6
SCHEMBL18944234 0.81 PDE3B (0.49) CA12CA9CA3CA4CA6
SCHEMBL764285 0.81 DAO (0.60) CA12CA9CA3CA4CA6
SCHEMBL1438379 0.81 CA12 (0.48) CA12CA9CA3CA4CA6
SCHEMBL1119897 0.81 CA12 (0.48) CA12CA9CA3CA4CA6
SCHEMBL31355055 0.81 CA12 (0.48) CA12CA9CA3CA4CA6
SCHEMBL16412569 0.80 KDM4E (0.54) CA12CA9CA3CA4CA6
SCHEMBL18932511 0.78 CA12 (0.46) CA12CA9CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 — — US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 — — US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 — — US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 — — EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 — — US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 — — EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 — — 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CA12 3131/4885CA9 484/4885CA3 3440/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CA12 3131/4885CA9 484/4885CA3 3440/4885

“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.

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