SCHEMBL6094941

SCHEMBL6094941

COC1=C(OC)C(=O)C(Cc2ccc(Oc3ccccc3)c(C(=O)O)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
CFD P00746 1/20 0.43
TTR P02766 2/20 0.42
LPAR1 Q92633 4/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
KMT2A Q03164 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
FOLH1 Q04609 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL6097299 0.92 KDM4E (0.59) KDM4EPOLBCFDLPAR1
SCHEMBL6097508 0.89 CFD (0.48) KDM4ECFDALDH1A1HPGDKMT2A
SCHEMBL6096874 0.85 FOLH1 (0.56) KDM4EPOLBCFDALDH1A1HPGD
SCHEMBL6097214 0.85 CFD (0.64) KDM4ECFDALDH1A1HPGDKMT2A
SCHEMBL6094427 0.85 TSHR (0.44) ALDH1A1HPGDKMT2A
SCHEMBL6095834 0.85 MEN1 (0.57) KDM4EPOLBALDH1A1HPGDKMT2A
SCHEMBL6098381 0.84 CFD (0.43) KDM4ECFDALDH1A1HPGDKMT2A
SCHEMBL6097631 0.83 ALDH1A1 (0.44) KDM4EALDH1A1KMT2A
SCHEMBL6096932 0.82 KLKB1 (0.55) CFDALDH1A1
SCHEMBL6093775 0.82 PPARA (0.43) KDM4EPOLBALDH1A1HPGD

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 KDM4E 1491/4885POLB 294/4885CFD 2791/4885

“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.