SCHEMBL6097613

SCHEMBL6097613

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(OC)c(OC)c3)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 4/20 0.45
PTGS2 P35354 2/20 0.45
MAOA P21397 2/20 0.45
TOP1 P11387 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ADORA2B P29275 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.42
CFD P00746 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6095101 0.91 TOP1 (0.44) KMT2AMEN1ALDH1A1TOP1SMN1; SMN2
SCHEMBL6098348 0.90 CCR5 (0.48) KMT2AMEN1ALDH1A1MAOBHTT
SCHEMBL6095530 0.90 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HTTCFD
SCHEMBL6094337 0.90 CCR5 (0.43) KMT2AMEN1ALDH1A1TOP1SMN1; SMN2
SCHEMBL6095894 0.90 CA1 (0.42) KMT2AMEN1ALDH1A1MAOBMAOA
SCHEMBL6095718 0.89 PKM (0.52) KMT2AALDH1A1SMN1; SMN2HTTCFD
SCHEMBL6095900 0.88 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPK1MAOB
SCHEMBL6095243 0.87 KMT2A (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL6096112 0.87 PPARA (0.50) ALDH1A1HTTCFDCYP1A2CYP3A4
SCHEMBL6096541 0.87 SIRT2 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2HTT

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 KMT2A 2280/4885MEN1 4600/4885ALDH1A1 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.