SCHEMBL6099250

SCHEMBL6099250

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(OC)nc3)c2)=C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PABPC1 P11940 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
CASP3 P42574 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
SCHEMBL6097523 0.93 LMNA (0.47) LMNAKDM4EUSP2POLBTSHR
SCHEMBL6097835 0.90 KCNQ3 (0.43) LMNAKDM4EUSP2POLBTSHR
SCHEMBL6096496 0.88 SORT1 (0.40) LMNAKDM4EUSP2POLBTSHR
SCHEMBL6096115 0.87 LMNA (0.50) LMNAKDM4EUSP2POLBTSHR
SCHEMBL6095894 0.87 CA1 (0.42) LMNAKDM4EUSP2POLBTSHR
SCHEMBL6096571 0.87 GAA (0.51) LMNAKDM4EPOLBTSHRKMT2A
SCHEMBL6098348 0.86 CCR5 (0.48) LMNAKDM4EPOLBKMT2AMEN1
SCHEMBL6097613 0.86 KMT2A (0.47) POLBKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6094337 0.85 CCR5 (0.43) LMNAKDM4EPOLBKMT2AMEN1
SCHEMBL6095530 0.85 ALDH1A1 (0.47) LMNAKDM4EPOLBKMT2AMEN1

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 LMNA 1361/4885KDM4E 1491/4885USP2 431/4885

“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.