SCHEMBL6097040

SCHEMBL6097040

COC1=C(OC)C(=O)C(Cc2ccc(C(=O)Nc3ccc(OC)cc3)c(OCc3ccccc3)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
MAOB P27338 1/20 0.48
LRRK2 Q5S007 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
AKR1C3 P42330 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MET P08581 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL6096243 0.94 LRRK2 (0.54) GAASGMS2MAOBLRRK2ALDH1A1
SCHEMBL6098023 0.87 CCR5 (0.48) MAOBALDH1A1NPC1RAB9AMEN1
SCHEMBL6097023 0.86 LRRK2 (0.54) LRRK2ALDH1A1NPC1MAPTRAB9A
SCHEMBL6096073 0.85 MCL1 (0.49) MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL6095441 0.84 MEN1 (0.52) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6095834 0.84 MEN1 (0.57) GAAALDH1A1NPC1MAPTRAB9A
SCHEMBL6093674 0.84 LRRK2 (0.58) SGMS2LRRK2MET
SCHEMBL5859153 0.83 GAA (0.56) GAAALDH1A1NPC1MAPTRAB9A
SCHEMBL6096041 0.83 MEN1 (0.48) GAAMAOBALDH1A1NPC1MAPT
SCHEMBL6096161 0.83 MAOB (0.54) GAASGMS2MAOBLRRK2ALDH1A1

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 GAA 781/4885SGMS2 4831/4885MAOB 447/4885

“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.