SCHEMBL6097835

SCHEMBL6097835

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(Cl)nc3)c2)=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.43
KCNQ2 O43526 9/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFD P00746 1/20 0.38
LRRK2 Q5S007 1/20 0.38
KCNE1 P15382 3/20 0.37
KCNQ1 P51787 3/20 0.37

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
SCHEMBL6099250 0.90 LMNA (0.54) KDM4ELMNAUSP2POLBTSHR
SCHEMBL6095530 0.88 ALDH1A1 (0.47) KDM4ELMNAPOLBALDH1A1HTT
SCHEMBL6096707 0.88 ALDH1A1 (0.38) KDM4ELMNAUSP2POLBTSHR
SCHEMBL6093988 0.88 KCNQ3 (0.45) KCNQ3KCNQ2KDM4ELMNAUSP2
SCHEMBL6095894 0.87 CA1 (0.42) KDM4ELMNAUSP2POLBTSHR
SCHEMBL6096571 0.86 GAA (0.51) KDM4ELMNAPOLBTSHRLRRK2
SCHEMBL6095638 0.86 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6097613 0.86 KMT2A (0.47) POLBALDH1A1HTTCYP1A2CYP3A4
SCHEMBL6098348 0.86 CCR5 (0.48) KDM4ELMNAPOLBALDH1A1HTT
SCHEMBL6094337 0.85 CCR5 (0.43) KDM4ELMNAPOLBALDH1A1HTT

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 KCNQ3 4701/4885KCNQ2 4290/4885KDM4E 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.