SCHEMBL6096053

SCHEMBL6096053

COc1c(C)c(Cc2ccc(O)c(C(=O)N3CCCCC3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
SCN9A Q15858 3/20 0.41
HPGD P15428 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSP90AA1 P07900 2/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CES2 O00748 1/20 0.38
RAB9A P51151 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
SCHEMBL6096592 0.89 HSP90AA1 (0.45) HPGDTSHRHSP90AA1GAAALDH1A1
SCHEMBL5859084 0.83 CYP46A1 (0.47) SCN9ARAB9A
SCHEMBL6096479 0.83 SCN9A (0.41) HSD11B1SCN9AHPGDMEN1KMT2A
SCHEMBL6095053 0.82 SCN9A (0.53) SCN9AHPGDMEN1KMT2ALMNA
SCHEMBL6098034 0.81 KMT2A (0.39) SCN9AHPGDMEN1KMT2ALMNA
SCHEMBL6095110 0.81 KLKB1 (0.58) TSHRGAAALDH1A1
SCHEMBL6097694 0.80 SCN9A (0.45) SCN9AHPGDMEN1KMT2AALDH1A1
SCHEMBL5858943 0.80 CYP2C9 (0.46) SCN9AHPGDMEN1KMT2ALMNA
SCHEMBL6095282 0.80 SCN9A (0.53) SCN9AHPGDMEN1KMT2ALMNA
SCHEMBL5859111 0.80 CA12 (0.48) HPGDLMNATSHRGAAALDH1A1

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 5 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
CN-1460097-A NF-kB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY SEIYAKU CO LTD (JP) 2003-12-03 CN 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 HSD11B1 792/4885SCN9A 2601/4885HPGD 604/4885

“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.