SCHEMBL6095110

SCHEMBL6095110

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.58
CTSB P07858 1/20 0.58
MMP9 P14780 1/20 0.58
DNMT1 P26358 1/20 0.58
DNMT3B Q9UBC3 1/20 0.58
DNMT3L Q9UJW3 1/20 0.58
DNMT3A Q9Y6K1 1/20 0.58
HNF4A P41235 2/20 0.52
LCK P06239 2/20 0.47
MCL1 Q07820 6/20 0.45
KAT8 Q9H7Z6 2/20 0.45
CSNK2A1 P68400 1/20 0.44
ACMSD Q8TDX5 3/20 0.44
EGFR P00533 1/20 0.42
CFD P00746 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALOX5 P09917 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
SCHEMBL6097836 0.92 KLKB1 (0.58) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL6096927 0.89 PPARA (0.45) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5859111 0.88 CA12 (0.48) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL6095819 0.86 CFD (0.50) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL6096478 0.82 CFD (0.67) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5859262 0.82 FOLH1 (0.52) HNF4A
SCHEMBL6097875 0.81 CFD (0.45) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5859079 0.81 SMN1; SMN2 (0.59) ALDH1A1
SCHEMBL6096053 0.81 HSD11B1 (0.42) ALDH1A1GAATSHR
SCHEMBL6098146 0.80 KDM4E (0.48) CFDALDH1A1

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 KLKB1 802/4885CTSB 347/4885MMP9 1660/4885

“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.