SCHEMBL13330360

SCHEMBL13330360

COc1cc2cn(C(C)(C)C)cc2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
NQO2 P16083 1/20 0.34
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL13211670 0.73 ALDH1A1 (0.48) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11496731 0.71 ALDH1A1 (0.63) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL14577506 0.70 CYP2A6 (0.38) ALDH1A1CA2CA12CA1CA7
SCHEMBL2138144 0.68 ALDH1A1 (0.60) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL27765191 0.68 ALDH1A1 (0.60) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL13360875 0.68 PDE4A (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL21720163 0.68 CA1 (0.38) ALDH1A1CA2CA12CA1CA7
SCHEMBL1276533 0.64 CYP3A4 (0.59) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2608450 0.62 NQO2 (0.42) ALDH1A1CYP3A4MAPTNQO2PDGFRB
SCHEMBL10383141 0.62 MAOB (0.50) PDE4BPDE4DCA7CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445430-B2 Cyclic carboxamide compounds and analogues thereof as of hepatitis C virus ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-8445430-B2 Cyclic carboxamide compounds and analogues thereof as of hepatitis C virus ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-20 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-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS CPS1, CCKAR, C1R ALDH1A1 2673/4885PDE4A 2058/4885PDE4B 2290/4885

“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.