SCHEMBL4958360

SCHEMBL4958360

COc1ccc2c(C)c(C(N)=O)c(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.62
ALDH1A1 P00352 9/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 3/20 0.62
GAA P10253 1/20 0.62
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 3/20 0.56
STAT1 P42224 1/20 0.56
MAOB P27338 2/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NQO1 P15559 1/20 0.52
CCR4 P51679 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ACHE P22303 1/20 0.51

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
SCHEMBL4953370 0.89 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL22733326 0.82 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6888225 0.81 SRC (0.53) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11748869 0.78 CA1 (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4955063 0.78 CCR4 (0.52) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL16697876 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL38652222 0.77 NQO1 (0.69) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL15842470 0.77 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL1850238 0.76 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGAAPOLB
SCHEMBL28497661 0.76 NQO1 (0.65) KDM4EALDH1A1HPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032917-A1 FLAVIVIRUS PROTEASE SUBSTRATES AND INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2008-02-07 US claimed
WO-2006014232-A2 DENGUE PROTEASE SUBSTRATES AND INHIBITORS IRM LLC (BM) 2006-02-09 WO claimed
US-20050222383-A1 Prostasin substrates and inhibitors IRM LLC (BM) 2005-10-06 US claimed
WO-2005076886-A2 PROSTASIN SUBSTRATES AND INHIBITORS IRM LLC (BM) 2005-08-25 WO claimed
US-20040009911-A1 Hepsin substrates and prodrugs IRM, LLC (BM) 2004-01-15 US claimed
WO-2003064620-A2 HEPSIN SUBSTRATES AND PRODRUGS IRM, LLC (BM) 2003-08-07 WO claimed
US-20190144912-A1 METHODS FOR IDENTIFYING NOVEL ANTIBIOTICS AND RELATED COMPOSITIONS SCRIPPS RESEARCH INST (US) 2019-05-16 US disclosed
EP-3344043-A2 METHODS FOR IDENTIFYING NOVEL ANTIBIOTICS AND RELATED COMPOSITIONS The Scripps Research Institute (US) 2018-07-11 EP disclosed
WO-2017040762-A2 METHODS FOR IDENTIFYING NOVEL ANTIBIOTICS AND RELATED COMPOSITIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-09 WO disclosed
US-20040009911-A1 Hepsin substrates and prodrugs IRM, LLC (BM) 2004-01-15 US disclosed
WO-2003064620-A2 HEPSIN SUBSTRATES AND PRODRUGS IRM, LLC (BM) 2003-08-07 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-20040009911-A1 Hepsin substrates and prodrugs HPN, SPR, TMPRSS15 KDM4E 4130/4885ALDH1A1 2407/4885HPGD 102/4885

“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.