SCHEMBL6097875

SCHEMBL6097875

COc1c(C)c(Cc2ccc(OC(C)C)c(C(=O)O)c2)c(OC)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
ALDH1A1 P00352 2/20 0.37
APEX1 P27695 1/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 2/20 0.37
S1PR1 P21453 1/20 0.37
ADRB3 P13945 5/20 0.36
ADRB1 P08588 4/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KLKB1 P03952 1/20 0.35
CTSB P07858 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL6095819 0.89 CFD (0.50) CFDMRGPRX4LMNAMAPK1SMN1; SMN2
SCHEMBL6096478 0.84 CFD (0.67) CFDMRGPRX4LMNAMAPK1SMN1; SMN2
SCHEMBL6098146 0.82 KDM4E (0.48) CFDALDH1A1APEX1
SCHEMBL5860287 0.81 FOLH1 (0.57) MRGPRX4SMN1; SMN2RXRAALDH1A1MAPT
SCHEMBL6095110 0.81 KLKB1 (0.58) CFDALDH1A1TDP1KLKB1CTSB
SCHEMBL6095164 0.80 KDM4E (0.60) CFDMRGPRX4LMNASMN1; SMN2ALDH1A1
SCHEMBL6097240 0.80 TUBB1 (0.38) LMNAMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6095724 0.79 FOLH1 (0.46) CFDMRGPRX4LMNASMN1; SMN2ALDH1A1
SCHEMBL6096927 0.79 PPARA (0.45) CFDLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6096044 0.77 CFD (0.67) CFDMRGPRX4LMNAMAPK1SMN1; SMN2

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 3793/4885LMNA 1361/4885

“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.