SCHEMBL6096932

SCHEMBL6096932

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.55
CTSB P07858 1/20 0.55
MMP9 P14780 1/20 0.55
DNMT1 P26358 1/20 0.55
DNMT3B Q9UBC3 1/20 0.55
DNMT3L Q9UJW3 1/20 0.55
DNMT3A Q9Y6K1 1/20 0.55
HNF4A P41235 1/20 0.54
LCK P06239 2/20 0.44
KAT8 Q9H7Z6 2/20 0.43
ACMSD Q8TDX5 1/20 0.42
CSNK2A1 P68400 1/20 0.42
MCL1 Q07820 4/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6093775 0.90 PPARA (0.43) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL6097508 0.87 CFD (0.48) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL5859203 0.84 FOLH1 (0.51) HNF4ALMNAPGRCYP3A4CYP2D6
SCHEMBL6096291 0.84 F2 (0.43) KLKB1LMNACYP3A4CYP2D6MAPT
SCHEMBL6097214 0.83 CFD (0.64) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL6096098 0.83 KMT2A (0.39) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL6094941 0.82 KDM4E (0.47) CFDALDH1A1
SCHEMBL6098381 0.82 CFD (0.43) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL6094565 0.82 TAS1R3 (0.42) LMNAMAPTHTTALDH1A1
SCHEMBL6096050 0.82 GAA (0.40) LMNAMAPTMAPK1HTTALDH1A1

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 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.