SCHEMBL6095530

SCHEMBL6095530

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(Cl)cc3)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
AHR P35869 1/20 0.42
NLRP3 Q96P20 1/20 0.41
CFD P00746 1/20 0.41
KCNMA1 Q12791 1/20 0.41

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
SCHEMBL6098348 0.91 CCR5 (0.48) ALDH1A1HDAC8LMNAMEN1KMT2A
SCHEMBL6094337 0.91 CCR5 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL6095894 0.91 CA1 (0.42) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL6095718 0.90 PKM (0.52) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL6097613 0.90 KMT2A (0.47) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6097835 0.88 KCNQ3 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL6095243 0.88 KMT2A (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL6096541 0.88 SIRT2 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL6096112 0.88 PPARA (0.50) ALDH1A1LMNAKDM4EHTTNPSR1
SCHEMBL6097089 0.87 HTT (0.39) ALDH1A1LMNAMAPTKMT2AKDM4E

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 ALDH1A1 1508/4885HDAC8 288/4885LMNA 1361/4885

“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.