SCHEMBL6097925

SCHEMBL6097925

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
PTGER4 P35408 3/20 0.40
PTGER3 P43115 3/20 0.40
PTGER2 P43116 3/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
BCHE P06276 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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 0.85 SCN9A (0.55) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL6096041 0.84 MEN1 (0.48) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL6096967 0.84 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL6096506 0.83 KDM4E (0.50) MRGPRX4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL6097977 0.82 FOLH1 (0.54) PTGER1MEN1KMT2APTGER4PTGER3
SCHEMBL6095729 0.80 HMGB1 (0.44) KMT2AALDH1A1HSD17B10LMNAHPGD
SCHEMBL1169607 0.79 TSHR (0.51) PTGER1MEN1KMT2APTGER4PTGER3
SCHEMBL6096874 0.78 FOLH1 (0.56) PTGER1KMT2APOLBCTSVCTSL
SCHEMBL6096073 0.78 MCL1 (0.49) PTGER1CTSVCTSLMRGPRX4L3MBTL1
SCHEMBL5859876 0.77 PTGER1 (0.46) PTGER1MEN1KMT2APTGER4PTGER3

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 PTGER1 1847/4885MEN1 4600/4885KMT2A 2280/4885

“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.