SCHEMBL6096479

SCHEMBL6096479

COC(=O)COc1ccc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)cc1C(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6096039 0.91 SCN9A (0.40) SCN9AKMT2AMEN1NPC1GAA
SCHEMBL6096935 0.91 P2RY12 (0.43) KMT2AGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL6095053 0.86 SCN9A (0.53) SCN9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL6097694 0.84 SCN9A (0.45) SCN9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL6096053 0.83 HSD11B1 (0.42) SCN9AKMT2AMEN1GAAHSD11B1
SCHEMBL6097174 0.82 NPSR1 (0.39) KMT2AGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL6096049 0.81 SCN9A (0.42) SCN9ANPC1
SCHEMBL6098034 0.81 KMT2A (0.39) SCN9AKMT2AMEN1GAASMN1; SMN2
SCHEMBL6095940 0.79 NPC1 (0.41) KMT2AMEN1NPC1GAAL3MBTL1
SCHEMBL27578058 0.78 SCN9A (0.58) SCN9AKMT2AMEN1NPC1SMN1; 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 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 SCN9A 2601/4885KMT2A 2280/4885MEN1 4600/4885

“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.