SCHEMBL13360875

SCHEMBL13360875

CCn1cc2cc(OC)c(OC)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PGK1 P00558 2/20 0.38
MCL1 Q07820 1/20 0.38
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 1/20 0.36
MAPT P10636 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35

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) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13955855 0.71 GRIN2D (0.39) ALDH1A1CYP3A4MAPTGRIN2DGRIN3B
SCHEMBL11496731 0.71 ALDH1A1 (0.63) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2138144 0.68 ALDH1A1 (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL27765191 0.68 ALDH1A1 (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13330360 0.68 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1276533 0.64 CYP3A4 (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20135974 0.64 MCL1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL25145123 0.62 PTGER4 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12826420 0.62 PGK1 (0.46) ALDH1A1PGK1HMGCRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE4A 2058/4885PDE4B 2290/4885PDE4C 1927/4885

“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.