SCHEMBL6095584

SCHEMBL6095584

COC1=C(OC)C(=O)C(Cc2ccc(Oc3cccc(OC)c3)c(C(=O)Nc3ccc(OC)cc3)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PGR P06401 1/20 0.45
HTT P42858 1/20 0.45
MTNR1B P49286 7/20 0.44
MTNR1A P48039 6/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
KLKB1 P03952 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
CYP2C9 P11712 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL6095834 0.94 MEN1 (0.57) MEN1KMT2APGRHTTNPC1
SCHEMBL6095441 0.90 MEN1 (0.52) MEN1KMT2AHTTNPC1KDM4E
SCHEMBL6098348 0.87 CCR5 (0.48) MEN1KMT2AHTTNPC1KDM4E
SCHEMBL6097524 0.87 NPC1 (0.46) MEN1KMT2AHTTNPC1KDM4E
SCHEMBL6097299 0.85 KDM4E (0.59) MTNR1BMTNR1AKDM4EPOLB
SCHEMBL5859065 0.85 GAA (0.47) MEN1KMT2AHTTMTNR1BMTNR1A
SCHEMBL6093802 0.84 NPC1 (0.52) MEN1KMT2ANPC1KDM4EPOLB
SCHEMBL6096243 0.84 LRRK2 (0.54) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL5862041 0.83 POLB (0.50) MEN1KMT2ANPC1KDM4EPOLB
SCHEMBL6097023 0.82 LRRK2 (0.54) MEN1KMT2AHTTNPC1KDM4E

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 2280/4885PGR 3107/4885

“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.