SCHEMBL6095642

SCHEMBL6095642

COC1=C(OC)C(=O)C(Cc2ccc(OCC(=O)OC(C)(C)C)c(C(=O)N3CCOCC3)c2)=C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PTPN1 P18031 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HTT P42858 1/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL6096036 0.92 PTPN1 (0.40) ALDH1A1PTPN1GAASMN1; SMN2DDB1
SCHEMBL6097708 0.91 ALDH1A1 (0.43) NPSR1ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL6095118 0.87 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL6097512 0.84 HSD17B10 (0.51) NPSR1ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL6098329 0.83 PKM (0.44) NPSR1ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL6096190 0.83 PTPN1 (0.41) NPSR1ALDH1A1PTPN1GAASMN1; SMN2
SCHEMBL6095940 0.83 NPC1 (0.41) ALDH1A1GAASMN1; SMN2HTTPOLB
SCHEMBL6095824 0.83 GAA (0.46) NPSR1ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL6095213 0.82 HSD17B10 (0.42) NPSR1ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL6097631 0.82 ALDH1A1 (0.44) NPSR1ALDH1A1GAASMN1; SMN2KDM4E

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 NPSR1 3932/4885ALDH1A1 1508/4885PTPN1 3329/4885

“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.