SCHEMBL2340155

SCHEMBL2340155

COc1ccc2c(c1OC)C(=O)OC(=O)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
LMNA P02545 1/20 0.62
ACHE P22303 1/20 0.49
ABCB1 P08183 2/20 0.45
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
TP53 P04637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.40
ODC1 P11926 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2338034 0.83 KDM4E (0.42) KDM4ELMNAACHEABCB1NPC1
SCHEMBL7604955 0.81 CA9 (0.43) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL4245789 0.78 KDM4E (0.57) KDM4ELMNAACHEABCB1NPC1
SCHEMBL698750 0.77 KDM4E (1.00) KDM4ELMNAACHEABCB1NPC1
SCHEMBL30294185 0.77 KDM4E (1.00) KDM4ELMNAACHEABCB1NPC1
SCHEMBL2340157 0.74 KDM4E (0.53) KDM4ELMNAACHENPC1RAB9A
SCHEMBL4226377 0.73 RAB9A (0.57) KDM4ELMNAACHENPC1RAB9A
SCHEMBL349476 0.72 ALDH1A1 (0.50) KDM4ELMNAACHESMN1; SMN2ALDH1A1
SCHEMBL28137633 0.72 SMN1; SMN2 (0.60) KDM4ELMNAACHEABCB1NPC1
SCHEMBL669908 0.71 CYP3A4 (0.59) KDM4ELMNAACHEABCB1SMN1; SMN2

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
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
EP-2050452-A1 indenoisoquinolines as topoisomerase inhibitors I useful as antineoplastic agents Purdue Research Foundation (US) 2009-04-22 EP disclosed
US-6509344-B1 A method for treating a patient having cancer, said method comprising the step of administering to the patient an effective amount of a compound according to claim 1, whereupon said patient is treated for cancer, and wherein the cancer is THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-01-21 US disclosed
EP-1123099-A4 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2002-08-21 EP disclosed
EP-1123099-A1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2001-08-16 EP disclosed
WO-2000021537-A1 NOVEL INDENOISOQUINOLINES AS ANTINEOPLASTIC AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-04-20 WO 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 2120/4885LMNA 3790/4885ACHE 4584/4885

“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.