SCHEMBL972802

SCHEMBL972802

Cc1c(Cc2ccccc2)c(=O)oc2cc(O)c(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
GAA P10253 4/20 0.67
GLA P06280 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
HSD17B3 P37058 1/20 0.67
ERAP1 Q9NZ08 1/20 0.67
MAP2K1 Q02750 2/20 0.65
ALDH1A1 P00352 7/20 0.62
HPGD P15428 3/20 0.62
LMNA P02545 2/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 2/20 0.60
MAPT P10636 3/20 0.59
NQO1 P15559 1/20 0.58
SHBG P04278 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
JAK2 O60674 1/20 0.57

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
SCHEMBL7797770 0.90 KDM4E (0.74) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL972660 0.88 MAPT (0.53) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL959616 0.87 MAP2K1 (0.68) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL974653 0.86 VKORC1 (0.56) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL5649508 0.86 TP53 (0.53) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL14249949 0.84 MAP2K1 (0.54) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL962318 0.84 MAP2K1 (0.60) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL972168 0.81 MAP2K1 (0.78) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL961165 0.81 TP53 (0.49) KDM4EGAAGLANPSR1HSD17B3
SCHEMBL971942 0.81 KDM4E (1.00) KDM4EGAAGLANPSR1HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334256-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2016-05-10 US disclosed
CN-102964326-B There is compound of MEK inhibit feature and preparation method thereof and application PEKING UNIVERSITY (CN) 2015-11-18 CN disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases NONO INC. (CA) 2014-08-07 US disclosed
CN-102964326-A Compound with MEK (Mitogen-activated and Extracellular signal-regulated Kinase) inhibiting function as well as preparation method and application of compound UNIV BEIJING 2013-03-13 CN disclosed
WO-2012174488-A2 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2012-12-20 WO disclosed
US-7994318-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-08-09 US disclosed
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 US disclosed
US-7709664-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-7026491-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-11 US disclosed
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-01-26 US disclosed
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-20 US disclosed
WO-2002008217-A2 COUMARIN DERIVATIVES USEFUL AS TNFα INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 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 (5 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-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A KDM4E 4511/4885GAA 659/4885GLA 820/4885
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A KDM4E 4508/4885GAA 572/4885GLA 753/4885
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A KDM4E 4508/4885GAA 572/4885GLA 753/4885
US-20140221423-A1 Agents And Methods For Treating Ischemic And Other Diseases TRPM7, TRPM8, TRPM5 KDM4E 4656/4885GAA 970/4885GLA 898/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A KDM4E 4567/4885GAA 603/4885GLA 1478/4885

“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.