SCHEMBL6094860

SCHEMBL6094860

COc1c(C)c(Cc2cccc(C(=O)O)c2OC(C)=O)c(OC)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.40
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 2/20 0.37
BACE1 P56817 1/20 0.37
HIF1A Q16665 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
SCHEMBL6096263 0.83 HMGB1 (0.46) KDM4EHSD17B10ALDH1A1HPGDMRGPRX4
SCHEMBL16719153 0.82 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL5859876 0.82 PTGER1 (0.46) HPGDMRGPRX4TDP1CYP2C9APEX1
SCHEMBL5176500 0.77 KDM4E (0.62) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL5176423 0.76 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL5859135 0.76 ROCK2 (0.41) ALDH1A1MRGPRX4CYP2C9HIF1ACYP1A2
SCHEMBL19058739 0.76 MRGPRX4 (0.55) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL27596107 0.76 ALDH1A1 (0.52) KDM4EALDH1A1MRGPRX4CYP2C9HIF1A
SCHEMBL6096506 0.76 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL7790397 0.75 KDM4E (0.63) KDM4EHSD17B10ALDH1A1HPGDMAPK1

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 5 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
CN-1460097-A NF-kB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY SEIYAKU CO LTD (JP) 2003-12-03 CN 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 KDM4E 1491/4885HSD17B10 931/4885ALDH1A1 1508/4885

“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.