SCHEMBL6096243

SCHEMBL6096243

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.54
MAOB P27338 3/20 0.49
AKR1C3 P42330 2/20 0.48
GAA P10253 1/20 0.47
SGMS2 Q8NHU3 1/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MAOA P21397 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
SCHEMBL6097040 0.94 GAA (0.48) LRRK2MAOBAKR1C3GAASGMS2
SCHEMBL6097023 0.92 LRRK2 (0.54) LRRK2AKR1C3NPC1MAPTALDH1A1
SCHEMBL6093674 0.90 LRRK2 (0.58) LRRK2SGMS2
SCHEMBL6095441 0.90 MEN1 (0.52) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL6095834 0.89 MEN1 (0.57) GAANPC1MAPTALDH1A1RAB9A
SCHEMBL6098348 0.86 CCR5 (0.48) LRRK2MAOBNPC1ALDH1A1RAB9A
SCHEMBL6097524 0.86 NPC1 (0.46) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL6096874 0.84 FOLH1 (0.56) NPC1ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL6095584 0.84 MEN1 (0.48) GAANPC1MAPTALDH1A1MEN1
SCHEMBL5859153 0.84 GAA (0.56) AKR1C3GAANPC1MAPTALDH1A1

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 LRRK2 1828/4885MAOB 447/4885AKR1C3 2007/4885

“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.