SCHEMBL6097508

SCHEMBL6097508

COC1=C(OC)C(=O)C(Cc2ccc(OC)c(C(=O)O)c2)=C(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
RNASEH1 O60930 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MYC P01106 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
AVPR2 P30518 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6097214 0.90 CFD (0.64) CFDMRGPRX4RNASEH1KDM4EALDH1A1
SCHEMBL6094941 0.89 KDM4E (0.47) CFDKDM4EALDH1A1HPGDKMT2A
SCHEMBL6098381 0.89 CFD (0.43) CFDMRGPRX4RNASEH1KDM4EALDH1A1
SCHEMBL6096874 0.88 FOLH1 (0.56) CFDMRGPRX4KDM4EALDH1A1HPGD
SCHEMBL6096932 0.87 KLKB1 (0.55) CFDALDH1A1MAPK1LMNAPGR
SCHEMBL6097299 0.86 KDM4E (0.59) CFDMRGPRX4KDM4ELMNAAPEX1
SCHEMBL5859200 0.86 FOLH1 (0.42) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL6096088 0.85 FOLH1 (0.46) CFDMRGPRX4KDM4EALDH1A1CYP4F2
SCHEMBL6093775 0.85 PPARA (0.43) KDM4EALDH1A1HPGDMYCMAPK1
SCHEMBL5859203 0.84 FOLH1 (0.51) KDM4EALDH1A1HPGDMAPK1LMNA

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 CFD 2791/4885MRGPRX4 3793/4885RNASEH1 3695/4885

“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.