SCHEMBL90400

SCHEMBL90400

CCc1cc(O)cc(C(=O)OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.70
CA2 P00918 6/20 0.70
CA12 O43570 5/20 0.70
CA7 P43166 5/20 0.70
CA9 Q16790 5/20 0.70
CA14 Q9ULX7 5/20 0.70
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
XDH P47989 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 2/20 0.49
HSP90AB1 P08238 1/20 0.48

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
SCHEMBL6492578 0.88 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL12303215 0.88 CA12 (0.56) CA1CA2CA12CA7CA9
SCHEMBL2668277 0.87 CA12 (0.63) CA1CA2CA12CA7CA9
SCHEMBL710342 0.87 CA12 (0.68) CA1CA2CA12CA7CA9
SCHEMBL46504 0.83 CA12 (0.91) CA1CA2CA12CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.83 CA1 (1.00) CA1CA2CA12CA7CA9
Bromoethane SCHEMBL29010551 0.82 CA12 (0.73) CA1CA2CA12CA7CA9
SCHEMBL3132398 0.82 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL2319081 0.82 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL10546797 0.82 CA12 (0.48) CA1CA2CA12CA7CA9

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CA1 2037/4885CA2 562/4885CA12 2906/4885

“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.