SCHEMBL6095501

SCHEMBL6095501

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)N3CCCCC3)c2O)=C(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
SCN9A Q15858 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
SCHEMBL6097777 0.89 USP2 (0.44) TSHRSMN1; SMN2KMT2AHTTGAA
SCHEMBL6096412 0.85 TSHR (0.42) TSHRSMN1; SMN2GLAKMT2AHTT
SCHEMBL5859244 0.83 CYP46A1 (0.44) TSHRSMN1; SMN2GLAKMT2AHTT
SCHEMBL6095933 0.82 SCN9A (0.55) TSHRSMN1; SMN2KMT2AHTTNPC1
SCHEMBL6095729 0.81 HMGB1 (0.44) KMT2AHTTHSD17B10KDM4EMAPT
SCHEMBL5860204 0.81 CYP2C9 (0.41) TSHRSMN1; SMN2GLAKMT2AMEN1
SCHEMBL6096050 0.80 GAA (0.40) TSHRSMN1; SMN2KMT2AHTTHSD17B10
SCHEMBL6096444 0.77 GAA (0.50) TSHRSMN1; SMN2KMT2AHTTNPC1
SCHEMBL5730966 0.77 HPGD (0.50) SMN1; SMN2GLAKMT2AHTTNPC1
SCHEMBL5731705 0.77 NPC1 (0.55) TSHRSMN1; SMN2KMT2AHTTNPC1

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 TSHR 4857/4885SMN1; SMN2 4307/4885GLA 1139/4885

“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.