SCHEMBL6096967

SCHEMBL6096967

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)N3CCOCC3)c2OCc2ccccc2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
SCN9A Q15858 3/20 0.46
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
HIF1A Q16665 1/20 0.40
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40

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
SCHEMBL6095933 0.91 SCN9A (0.55) ALDH1A1TSHRSCN9AHTTHPGD
SCHEMBL6096116 0.85 USP2 (0.44) ALDH1A1TSHRHTTNPSR1SMN1; SMN2
SCHEMBL6097925 0.84 PTGER1 (0.42) ALDH1A1TSHRHSD17B10HPGDKDM4E
SCHEMBL6097777 0.83 USP2 (0.44) ALDH1A1TSHRHTTNPSR1SMN1; SMN2
SCHEMBL6097512 0.82 HSD17B10 (0.51) ALDH1A1TSHRHTTHSD17B10HPGD
SCHEMBL6096131 0.82 HSD17B10 (0.48) ALDH1A1TSHRHTTHSD17B10HPGD
SCHEMBL7065086 0.77 ALDH1A1 (0.46) ALDH1A1TSHRSCN9AHTTHSD17B10
SCHEMBL5732788 0.76 L3MBTL1 (0.56) ALDH1A1TSHRHTTLMNANPSR1
SCHEMBL6096041 0.76 MEN1 (0.48) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL6096412 0.76 TSHR (0.42) ALDH1A1TSHRSCN9AHTTHSD17B10

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 1508/4885TSHR 4857/4885SCN9A 2601/4885

“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.