SCHEMBL6096927

SCHEMBL6096927

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.45
KLKB1 P03952 2/20 0.43
CTSB P07858 2/20 0.43
MMP9 P14780 2/20 0.43
DNMT1 P26358 1/20 0.43
DNMT3B Q9UBC3 1/20 0.43
DNMT3L Q9UJW3 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
MYC P01106 2/20 0.40
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

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
SCHEMBL6095110 0.89 KLKB1 (0.58) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5862144 0.88 CA12 (0.48) MYCTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6095819 0.84 CFD (0.50) PPARAKLKB1CTSBMMP9DNMT1
SCHEMBL5858995 0.82 PTPN1 (0.43) SMN1; SMN2
SCHEMBL6097736 0.82 CFD (0.52) PPARAMAPTTDP1ALDH1A1TSHR
SCHEMBL6097836 0.81 KLKB1 (0.58) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL6098146 0.80 KDM4E (0.48) PPARAALDH1A1HPGDCFD
SCHEMBL5859111 0.80 CA12 (0.48) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL5859262 0.80 FOLH1 (0.52) HNF4ASMN1; SMN2
SCHEMBL6096478 0.80 CFD (0.67) KLKB1CTSBMMP9DNMT1DNMT3B

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 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.