SCHEMBL6095101

SCHEMBL6095101

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2)=C(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PKM P14618 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 1/20 0.42
CFD P00746 1/20 0.41
PDE7A Q13946 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 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
SCHEMBL6097613 0.91 KMT2A (0.47) TOP1ALDH1A1PKMTDP1HTT
SCHEMBL6098348 0.88 CCR5 (0.48) ALDH1A1TDP1HTTCFDCYP2C19
SCHEMBL6094867 0.87 ALDH1A1 (0.45) TOP1ALDH1A1PKMTDP1HTT
SCHEMBL6094337 0.87 CCR5 (0.43) TOP1ALDH1A1PKMTDP1HTT
SCHEMBL6095530 0.87 ALDH1A1 (0.47) ALDH1A1HTTCFDMAPTNPSR1
SCHEMBL6095894 0.87 CA1 (0.42) ALDH1A1PKMTDP1HTTCFD
SCHEMBL6096625 0.86 P2RX1 (0.44) CFDMAPT
SCHEMBL6095718 0.86 PKM (0.52) ALDH1A1PKMTDP1HTTCFD
SCHEMBL6096112 0.84 PPARA (0.50) ALDH1A1TDP1HTTCFDCYP2C19
SCHEMBL6095243 0.84 KMT2A (0.46) ALDH1A1PKMTDP1HTTCFD

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 TOP1 1755/4885ALDH1A1 1508/4885PKM 3525/4885

“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.