SCHEMBL6096161

SCHEMBL6096161

COC1=C(OC)C(=O)C(Cc2cccc(OCc3ccccc3)c2C(=O)Nc2ccc(OC)cc2)=C(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
SGMS2 Q8NHU3 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ABCB1 P08183 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR55 Q9Y2T6 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
SCHEMBL6096041 0.85 MEN1 (0.48) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL6097977 0.84 FOLH1 (0.54) MEN1KMT2AABCB1MAPT
SCHEMBL6097040 0.83 GAA (0.48) MAOBNPC1RAB9ALRRK2MEN1
SCHEMBL6096243 0.82 LRRK2 (0.54) MAOBNPC1RAB9ALRRK2MEN1
SCHEMBL6094843 0.78 NPC1 (0.51) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL7062289 0.76 SGMS2 (0.54) NPC1RAB9ALRRK2MEN1KMT2A
SCHEMBL6097023 0.74 LRRK2 (0.54) NPC1RAB9ALRRK2MEN1KMT2A
SCHEMBL6095316 0.74 NPC1 (0.46) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL5859074 0.73 MEN1 (0.47) NPC1RAB9ACASP3SENP7MEN1
SCHEMBL5859153 0.73 GAA (0.56) NPC1RAB9ACASP3SENP7MEN1

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 MAOB 447/4885NPC1 1501/4885RAB9A 3710/4885

“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.