SCHEMBL6095824

SCHEMBL6095824

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)C)c(C(=O)N3CCOCC3)c2)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6095118 0.91 ALDH1A1 (0.50) GAAALDH1A1KDM4EHTTPOLB
SCHEMBL6094041 0.91 LPAR5 (0.45) GAAALDH1A1HTTPOLBKMT2A
SCHEMBL6098329 0.88 PKM (0.44) GAAALDH1A1KDM4EHTTPOLB
SCHEMBL6097631 0.86 ALDH1A1 (0.44) GAAALDH1A1KDM4EHTTPKM
SCHEMBL6095332 0.85 KCNH2 (0.43) ALDH1A1KDM4EHTTPKMNPSR1
SCHEMBL6097512 0.85 HSD17B10 (0.51) GAAALDH1A1KDM4EHTTPKM
SCHEMBL6097708 0.85 ALDH1A1 (0.43) GAAALDH1A1KDM4EHTTPOLB
SCHEMBL6096165 0.85 L3MBTL1 (0.47) GAAALDH1A1KDM4EPOLBCNR2
SCHEMBL6095888 0.84 ALDH1A1 (0.41) GAAALDH1A1KDM4EHTTPOLB
SCHEMBL6095213 0.83 HSD17B10 (0.42) GAAALDH1A1KDM4EHTTKMT2A

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 GAA 781/4885ALDH1A1 1508/4885KDM4E 1491/4885

“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.