SCHEMBL6098091

SCHEMBL6098091

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)N3CCCCC3)c2)=C(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
CFD P00746 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL6096444 0.92 GAA (0.50) KMT2AGAAPOLBALDH1A1HPGD
SCHEMBL6098329 0.90 PKM (0.44) KMT2ACFDGAAPOLBALDH1A1
SCHEMBL6094041 0.87 LPAR5 (0.45) KMT2AGAAPOLBALDH1A1HPGD
SCHEMBL6094427 0.87 TSHR (0.44) KMT2AGAAALDH1A1HPGDLMNA
SCHEMBL6096050 0.86 GAA (0.40) KMT2AGAAPOLBALDH1A1HPGD
SCHEMBL6095940 0.86 NPC1 (0.41) KMT2AGAAPOLBALDH1A1HPGD
SCHEMBL6095437 0.86 SCN9A (0.48) KMT2AALDH1A1HPGDLMNAMAPT
SCHEMBL6094865 0.85 ALDH1A1 (0.42) KMT2AGAAPOLBALDH1A1HPGD
SCHEMBL6095989 0.84 GAA (0.39) KMT2AGAAPOLBALDH1A1HPGD
SCHEMBL6094905 0.83 SCN9A (0.42) KMT2AGAAALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB KMT2A 2280/4885CFD 2791/4885GAA 781/4885

“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.