SCHEMBL6095819

SCHEMBL6095819

COc1ccc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.47
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APEX1 P27695 1/20 0.43
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 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
SCHEMBL6096478 0.90 CFD (0.67) CFDMRGPRX4MAPK1SMN1; SMN2LMNA
SCHEMBL6097875 0.89 CFD (0.45) CFDMRGPRX4MAPK1SMN1; SMN2LMNA
SCHEMBL6098146 0.88 KDM4E (0.48) CFDAPEX1ALDH1A1KDM4EHPGD
SCHEMBL5860287 0.87 FOLH1 (0.57) MRGPRX4SMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL6095110 0.86 KLKB1 (0.58) CFDTDP1ALDH1A1KLKB1CTSB
SCHEMBL6095164 0.85 KDM4E (0.60) CFDMRGPRX4SMN1; SMN2LMNAAPEX1
SCHEMBL5862012 0.84 FOLH1 (0.43) MAPK1SMN1; SMN2LMNATDP1TUBB4A
SCHEMBL6095724 0.84 FOLH1 (0.46) CFDMRGPRX4SMN1; SMN2LMNAMAPT
SCHEMBL6096927 0.84 PPARA (0.45) CFDMAPK1SMN1; SMN2LMNAMAPT
SCHEMBL6866159 0.82 CFD (0.70) CFDMRGPRX4MAPTTDP1TUBB4A

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 CFD 2791/4885MRGPRX4 3793/4885MAPK1 845/4885

“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.