SCHEMBL755293

SCHEMBL755293

COc1c(C)[nH]cc(C(=O)O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CSNK2A1 P68400 5/20 0.45
CSNK2A2 P19784 4/20 0.45
CSNK2B P67870 4/20 0.45
PIM3 Q86V86 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
NOTUM Q6P988 2/20 0.40
HSD17B10 Q99714 4/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.37
KDM3B Q7LBC6 1/20 0.37
DYRK1A Q13627 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL754468 0.84 MAPT (0.47) KDM4EMAPTGAAHTT
SCHEMBL30819290 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDCSNK2A1CSNK2A2
SCHEMBL15491101 0.77 CSNK2A1 (0.50) KDM4EALDH1A1HPGDCSNK2A1CSNK2A2
SCHEMBL16921631 0.75 NOTUM (0.38) KDM4EALDH1A1HPGDNOTUMMAPT
SCHEMBL2933319 0.74 CSNK2A1 (0.45) KDM4EALDH1A1HPGDCSNK2A1CSNK2A2
SCHEMBL1146532 0.74 CSNK2A1 (0.45) KDM4EALDH1A1HPGDCSNK2A1CSNK2A2
SCHEMBL2656486 0.74 CSNK2A1 (0.45) KDM4EALDH1A1HPGDCSNK2A1CSNK2A2
SCHEMBL13698067 0.72 HSD17B10 (0.42) KDM4EALDH1A1HPGDNOTUMHSD17B10
SCHEMBL4742034 0.72 CA2 (0.38) HSD17B10
SCHEMBL5153802 0.72 PKM (0.44) KDM4EALDH1A1HPGDNOTUMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP 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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN8A, SCN1B, SCN3A KDM4E 4442/4885ALDH1A1 2279/4885HPGD 2534/4885

“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.