SCHEMBL6095933

SCHEMBL6095933

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)N3CCCCC3)c2OCc2ccccc2)=C(C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.55
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL6096967 0.91 ALDH1A1 (0.47) SCN9AALDH1A1HIF1AKMT2AMEN1
SCHEMBL6097925 0.85 PTGER1 (0.42) ALDH1A1HIF1AKMT2AMEN1LMNA
SCHEMBL6096412 0.85 TSHR (0.42) SCN9AALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL6095501 0.82 TSHR (0.43) SCN9AALDH1A1KMT2AMEN1LMNA
SCHEMBL6095194 0.81 SCN9A (0.48) SCN9AALDH1A1KMT2AMEN1LMNA
SCHEMBL6095437 0.81 SCN9A (0.48) SCN9AALDH1A1KMT2AMEN1LMNA
SCHEMBL6096041 0.77 MEN1 (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5859244 0.77 CYP46A1 (0.44) SCN9AALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL6096116 0.76 USP2 (0.44) ALDH1A1KMT2ASMN1; SMN2TP53HTT
SCHEMBL5731705 0.75 NPC1 (0.55) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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 SCN9A 2601/4885ALDH1A1 1508/4885HIF1A 494/4885

“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.