SCHEMBL2335113

SCHEMBL2335113

COc1cc2c(cc1OC)C(C(Cl)(Cl)Cl)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 1/20 0.39
SLC2A1 P11166 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16209368 0.75 ATM (0.39) KDM4ELMNA
SCHEMBL16209367 0.75 ATM (0.39) KDM4ELMNA
SCHEMBL16209370 0.75 ATM (0.39) KDM4ELMNA
SCHEMBL6204247 0.75 KDM4E (0.43) KDM4ECYP3A4CA1CA2CA7
SCHEMBL28436076 0.75 KDM4E (0.43) KDM4ECYP3A4CA1CA2CA7
SCHEMBL14966073 0.71 KDM4E (0.47) KDM4ESLC2A1LMNA
SCHEMBL15920753 0.71 KDM4E (0.40) KDM4ECYP3A4CA1CA2CA7
SCHEMBL16209582 0.71 KDM4E (0.47) KDM4ESLC2A1LMNA
SCHEMBL11236067 0.71 KDM4E (0.54) KDM4ECYP3A4LMNA
SCHEMBL28438637 0.70 KDM4E (0.43) KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 WO disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 WO disclosed
EP-0061881-A1 Ruminant feed method for improving the efficiency of ruminant feed utilization ELI LILLY AND COMPANY (US) 1982-10-06 EP disclosed
US-4333923-A 3-(TRICHLOROMETHYL)PHTHALIDES ELI LILLY AND COMPANY (US) 1982-06-08 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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 KDM4E 2120/4885CYP3A4 722/4885SLC2A1 4562/4885

“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.