SCHEMBL6096263

SCHEMBL6096263

COc1c(C)c(Cc2cccc(C(=O)O)c2O)c(OC)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.39
CYP2C9 P11712 2/20 0.39
HIF1A Q16665 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
ALB P02768 1/20 0.37
MMP2 P08253 1/20 0.37
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APEX1 P27695 1/20 0.36

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
SCHEMBL5859425 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6094860 0.83 KDM4E (0.52) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5859876 0.80 PTGER1 (0.46) HPGDMAPTTDP1MRGPRX4CYP2C9
SCHEMBL5859135 0.79 ROCK2 (0.41) ALDH1A1MRGPRX4CYP2C9HIF1ACYP3A4
SCHEMBL27596107 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EMRGPRX4CYP2C9HIF1A
SCHEMBL5859920 0.78 ERN1 (0.48) TLR2TLR1TLR6
SCHEMBL5859844 0.77 KDM4E (0.39) ALDH1A1KDM4E
SCHEMBL633197 0.75 HMGB1 (0.67) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29697016 0.75 HMGB1 (0.67) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5859187 0.75 HSPA5 (0.48) HSD17B10MAPTHIF1ATSHR

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 HMGB1 226/4885ALDH1A1 1508/4885KDM4E 1491/4885

“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.