SCHEMBL6097736

SCHEMBL6097736

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.52
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
USP2 O75604 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTGS1 P23219 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS2 P35354 1/20 0.41
BLM P54132 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL6096478 0.90 CFD (0.67) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6096044 0.83 CFD (0.67) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5859872 0.82 MCL1 (0.53) KDM4EALDH1A1HPGDCYP2C19TDP1
SCHEMBL6095819 0.82 CFD (0.50) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6096927 0.82 PPARA (0.45) CFDALDH1A1HPGDPPARATSHR
SCHEMBL16719152 0.81 CFD (0.76) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6095110 0.80 KLKB1 (0.58) CFDALDH1A1TSHRTDP1PTGS2
SCHEMBL5858995 0.78 PTPN1 (0.43) PPARGSMN1; SMN2PTPN1
SCHEMBL6097875 0.77 CFD (0.45) CFDALDH1A1TDP1LMNAMAPK1
SCHEMBL6098146 0.76 KDM4E (0.48) CFDKDM4EALDH1A1HPGDPPARA

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 CFD 2791/4885KDM4E 1491/4885ALDH1A1 1508/4885

“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.