SCHEMBL6095900

SCHEMBL6095900

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
PTGS2 P35354 2/20 0.46
TOP1 P11387 1/20 0.46
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2B P29275 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 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
SCHEMBL6094867 0.90 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1TOP1L3MBTL1
SCHEMBL6097613 0.88 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPK1PTGS2
SCHEMBL6093802 0.88 NPC1 (0.52) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL6097408 0.87 P2RX1 (0.51) KMT2AMEN1MAPTGAA
SCHEMBL6097223 0.87 P2RX1 (0.47) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL6097073 0.87 KLKB1 (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL6096291 0.86 F2 (0.43) KMT2AMEN1MAPK1MAPTNPC1
SCHEMBL6096550 0.86 PLAU (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6095585 0.85 KCNMA1 (0.47) KMT2AMEN1ALDH1A1MAPK1HTT
SCHEMBL6097420 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1HTTMAPT

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 KMT2A 2280/4885MEN1 4600/4885ALDH1A1 1508/4885

“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.