SCHEMBL6095332

SCHEMBL6095332

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HSP90AA1 P07900 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PARP1 P09874 1/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL6095118 0.90 ALDH1A1 (0.50) PKMALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL6096050 0.90 GAA (0.40) HSP90AA1PARP1ALDH1A1SMN1; SMN2HPGD
SCHEMBL5859144 0.86 EPHX1 (0.43) PARP1PKMALDH1A1HPGDKDM4E
SCHEMBL6098329 0.86 PKM (0.44) PKMNPSR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL6095824 0.85 GAA (0.46) PKMNPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6097631 0.85 ALDH1A1 (0.44) L3MBTL1PKMNPSR1ALDH1A1SMN1; SMN2
SCHEMBL5859912 0.85 RAB9A (0.47) L3MBTL1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL5859316 0.84 CYP1A2 (0.42) PKMALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL5859252 0.84 CYP46A1 (0.48) PARP1ALDH1A1HPGDKDM4E
SCHEMBL6097512 0.84 HSD17B10 (0.51) PKMNPSR1ALDH1A1SMN1; SMN2HPGD

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 KCNH2 4638/4885TMEM97 3913/4885SIGMAR1 4500/4885

“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.