SCHEMBL6096496

SCHEMBL6096496

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccnc(OC)c3)c2)=C(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CFD P00746 1/20 0.39
STAT3 P40763 1/20 0.38
MALT1 Q9UDY8 1/20 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
SCHEMBL6096707 0.90 ALDH1A1 (0.38) KDM4ELMNAPOLBUSP2TSHR
SCHEMBL6099250 0.88 LMNA (0.54) KDM4ELMNAPOLBUSP2TSHR
SCHEMBL6096009 0.87 SORT1 (0.43) SORT1KDM4ELMNAPOLBUSP2
SCHEMBL6097613 0.86 KMT2A (0.47) POLBHTTALDH1A1NPSR1CYP1A2
SCHEMBL6094781 0.86 NPC1 (0.40) KDM4ELMNAPOLBUSP2TSHR
SCHEMBL6096571 0.85 GAA (0.51) KDM4ELMNAPOLBTSHRLRRK2
SCHEMBL6098348 0.84 CCR5 (0.48) KDM4ELMNAPOLBHTTALDH1A1
SCHEMBL6095611 0.84 NPC1 (0.47) LMNAPOLBALDH1A1CFDSMN1; SMN2
SCHEMBL6095101 0.84 TOP1 (0.44) HTTALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL6095894 0.84 CA1 (0.42) KDM4ELMNAPOLBUSP2TSHR

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 SORT1 4598/4885KDM4E 1491/4885LMNA 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.