SCHEMBL6094593

SCHEMBL6094593

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3cccnc3)c2)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.52
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
NAMPT P43490 1/20 0.46
POLB P06746 1/20 0.45
LRRK2 Q5S007 3/20 0.45
BRAF P15056 1/20 0.45
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP11B2 P19099 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6097042 0.92 KDM4E (0.48) KCNMA1KDM4EALDH1A1MEN1HPGD
SCHEMBL6095585 0.89 KCNMA1 (0.47) KCNMA1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6096571 0.87 GAA (0.51) KDM4EKMT2ARAB9ANPC1MAPT
SCHEMBL6096115 0.86 LMNA (0.50) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL6094786 0.86 LRRK2 (0.61) LRRK2
SCHEMBL6096898 0.85 KDM4E (0.46) KDM4EKMT2ARAB9ANPC1MAPT
SCHEMBL6093988 0.85 KCNQ3 (0.45) KCNMA1KDM4ETSHRPOLBLMNA
SCHEMBL6093802 0.84 NPC1 (0.52) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL6096009 0.84 SORT1 (0.43) KDM4EMAPTTSHRSMN1; SMN2POLB
SCHEMBL6097332 0.84 HTT (0.39) KDM4EALDH1A1MEN1KMT2ANPC1

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 KCNMA1 3099/4885KDM4E 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.