SCHEMBL6097214

SCHEMBL6097214

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.64
KDM4E B2RXH2 4/20 0.43
PTGS1 P23219 3/20 0.43
TSHR P16473 3/20 0.43
PTGS2 P35354 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
GGT1 P19440 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
RNASEH1 O60930 1/20 0.38

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
SCHEMBL6093662 0.91 CFD (0.50) CFDKDM4EPTGS1TSHRPTGS2
SCHEMBL6097508 0.90 CFD (0.48) CFDKDM4EHSD17B10ALDH1A1TDP1
SCHEMBL6095136 0.88 CFD (0.70) CFDKDM4EPTGS1TSHRPTGS2
SCHEMBL6095718 0.85 PKM (0.52) CFDALDH1A1TDP1LMNACYP2C9
SCHEMBL6094941 0.85 KDM4E (0.47) CFDKDM4EALDH1A1HPGDKMT2A
SCHEMBL6098381 0.85 CFD (0.43) CFDKDM4EALDH1A1TDP1HPGD
SCHEMBL6096874 0.84 FOLH1 (0.56) CFDKDM4EALDH1A1HPGDMRGPRX4
SCHEMBL6096340 0.84 CFD (0.45) CFDKDM4EALDH1A1TDP1LMNA
SCHEMBL6095325 0.83 CFD (0.43) CFDKDM4EALDH1A1KMT2ARAB9A
SCHEMBL6098091 0.83 KMT2A (0.43) CFDKDM4EHSD17B10ALDH1A1HPGD

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 CFD 2791/4885KDM4E 1491/4885PTGS1 83/4885

“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.