SCHEMBL6093775

SCHEMBL6093775

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
KLKB1 P03952 2/20 0.41
CTSB P07858 2/20 0.41
MMP9 P14780 2/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
HNF4A P41235 1/20 0.40
MPO P05164 1/20 0.40
MYC P01106 2/20 0.40
ELANE P08246 1/20 0.40
DUSP3 P51452 1/20 0.40
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
PGR P06401 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
CYP3A4 P08684 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
SCHEMBL6096932 0.90 KLKB1 (0.55) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL6097508 0.85 CFD (0.48) MYCMAPK1LMNAPGRCYP2D6
SCHEMBL5860209 0.84 PTPN1 (0.42) MAPK1LMNAPGRCYP2D6CYP2C19
SCHEMBL6093662 0.83 CFD (0.50) PPARAMAPK1LMNAPGRCYP2D6
SCHEMBL6094941 0.82 KDM4E (0.47) ALDH1A1HPGDKDM4EPOLB
SCHEMBL5859203 0.81 FOLH1 (0.51) HNF4AMAPK1LMNAPGRCYP2D6
SCHEMBL6096073 0.81 MCL1 (0.49) CYP2C19MAPTCYP2C9TDP1
SCHEMBL6097214 0.81 CFD (0.64) MAPK1LMNAPGRCYP2D6CYP2C19
SCHEMBL6096091 0.80 SMN1; SMN2 (0.47) KLKB1MAPK1LMNACYP2D6CYP2C19
SCHEMBL6098381 0.80 CFD (0.43) MYCMAPK1LMNAPGRCYP2D6

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 PPARA 1876/4885KLKB1 802/4885CTSB 347/4885

“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.