SCHEMBL12869646

SCHEMBL12869646

COC(=O)c1ccc(O)c(C(C)C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA7 P43166 5/20 0.57
CA9 Q16790 5/20 0.57
CA14 Q9ULX7 5/20 0.57
XDH P47989 2/20 0.57
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
LMNA P02545 3/20 0.51
ALOX15 P16050 3/20 0.51
ALOX12 P18054 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL12869644 0.86 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10368169 0.83 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL10368652 0.79 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL31160585 0.79 CA1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8833980 0.78 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8833797 0.75 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL13882183 0.75 CA12 (0.53) CA12CA1CA2CA7CA9
Methyl Protocatechuate SCHEMBL29360855 0.74 CA1 (1.00) CA12CA1CA2CA7CA9
Methyl Protocatechuate SCHEMBL38624 0.74 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL11438477 0.73 CA1 (0.65) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A CA12 4135/4885CA1 4351/4885CA2 3289/4885

“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.