SCHEMBL6095834

SCHEMBL6095834

COC1=C(OC)C(=O)C(Cc2ccc(Oc3ccccc3)c(C(=O)Nc3ccc(OC)cc3)c2)=C(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 3/20 0.47
NPC1 O15118 2/20 0.47
SCN8A Q9UQD0 2/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
HTT P42858 3/20 0.45
GAA P10253 1/20 0.45
PNLIP P16233 1/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
PGR P06401 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL6095584 0.94 MEN1 (0.48) MEN1KMT2ANPC1SCN8ASCN10A
SCHEMBL6095441 0.91 MEN1 (0.52) MEN1KMT2ALMNANPC1ABCG2
SCHEMBL6096243 0.89 LRRK2 (0.54) MEN1KMT2ANPC1GAARAB9A
SCHEMBL6098348 0.88 CCR5 (0.48) MEN1KMT2ALMNANPC1ABCG2
SCHEMBL6097524 0.88 NPC1 (0.46) MEN1KMT2ALMNANPC1ABCG2
SCHEMBL5859153 0.86 GAA (0.56) MEN1KMT2ALMNANPC1ABCG2
SCHEMBL6093802 0.85 NPC1 (0.52) MEN1KMT2ALMNANPC1ABCG2
SCHEMBL6094941 0.85 KDM4E (0.47) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL5859074 0.84 MEN1 (0.47) MEN1KMT2ALMNANPC1ABCG2
SCHEMBL6097040 0.84 GAA (0.48) MEN1KMT2ANPC1ABCG2GAA

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 MEN1 4600/4885KMT2A 2280/4885LMNA 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.