SCHEMBL6096041

SCHEMBL6096041

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)Nc3ccc(OC)cc3)c2OCc2ccccc2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GPR55 Q9Y2T6 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
PPARD Q03181 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43
KDR P35968 1/20 0.43
MT-CO2 P00403 1/20 0.43
TOP1 P11387 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
SCHEMBL6096161 0.85 MAOB (0.54) MEN1KMT2AGPR55NPC1RAB9A
SCHEMBL6095316 0.85 NPC1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6097925 0.84 PTGER1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6094843 0.83 NPC1 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6097040 0.83 GAA (0.48) MEN1KMT2AGPR55NPC1RAB9A
SCHEMBL6096243 0.82 LRRK2 (0.54) MEN1KMT2AGPR55NPC1RAB9A
SCHEMBL6095933 0.77 SCN9A (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6096967 0.76 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7062289 0.76 SGMS2 (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5859153 0.75 GAA (0.56) MEN1KMT2ANPC1RAB9AALDH1A1

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 2280/4885GPR55 2549/4885

“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.