SCHEMBL2632476

SCHEMBL2632476

COC(=O)c1c(C)ccc2c1[nH]c(=O)n2C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
DAO P14920 2/20 0.39
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
NR4A2 P43354 1/20 0.35
PGR P06401 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOB P27338 1/20 0.33
NGFR P08138 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 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
SCHEMBL10165987 0.87 EZH2 (0.37) POLBDAOKDM4EGAAATM
SCHEMBL2632475 0.85 POLB (0.43) POLBDAOKDM4EGAAPGR
SCHEMBL2632474 0.80 POLB (0.41) POLBDAOPGRKMT2AMAOB
SCHEMBL2632366 0.77 POLB (0.48) POLBDAOKDM4EGAANR4A2
SCHEMBL1655471 0.74 ATM (0.45) POLBDAOKDM4EGAAATM
SCHEMBL12793451 0.73 MAPT (0.39) POLBDAOKDM4EGAANR4A2
SCHEMBL12730589 0.72 PGR (0.46) POLBDAOKDM4EGAAPGR
SCHEMBL24815335 0.71 POLB (0.64) POLBKDM4EGAAPGRALDH1A1
SCHEMBL30048927 0.71 POLB (0.64) POLBKDM4EGAAPGRALDH1A1
SCHEMBL20529180 0.69 B3GNT2 (0.57) POLBKDM4EPGRALDH1A1KMT2A

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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 POLB 399/4885DAO 2853/4885KDM4E 507/4885

“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.