SCHEMBL6094733

SCHEMBL6094733

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3cccnc3OC)c2)=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
CFD P00746 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 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
SCHEMBL6095715 0.90 PDE4A (0.49) ALDH1A1KDM4EMAPTCFDPDE4A
SCHEMBL6096656 0.89 KDM4E (0.38) ALDH1A1KDM4EMAPTCFDPDE4A
SCHEMBL6096733 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTBRD4BRPF1
SCHEMBL6096751 0.87 CFD (0.38) ALDH1A1KDM4EMAPTCFDBRD4
SCHEMBL6095611 0.86 NPC1 (0.47) ALDH1A1CFDMEN1KMT2ALMNA
SCHEMBL6096340 0.85 CFD (0.45) ALDH1A1KDM4EMAPTCFDPDE4A
SCHEMBL6096822 0.84 CASP1 (0.46) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL6095967 0.83 PDE4A (0.49) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL6096571 0.83 GAA (0.51) KDM4EMAPTKMT2ATSHRLMNA
SCHEMBL6094998 0.83 MEN1 (0.49) ALDH1A1KDM4EMAPTNPSR1HTT

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 1508/4885KDM4E 1491/4885MAPT 2457/4885

“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.