SCHEMBL6093802

SCHEMBL6093802

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
PAX8 Q06710 1/20 0.50
PNLIP P16233 1/20 0.49
KLKB1 P03952 1/20 0.48
PLAU P00749 2/20 0.47
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLAT P00750 1/20 0.47
FADS1 O60427 1/20 0.46
CYP1A2 P05177 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
SCHEMBL6097408 0.91 P2RX1 (0.51) MEN1KMT2AMAPTPNLIPKLKB1
SCHEMBL6097223 0.91 P2RX1 (0.47) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL6097073 0.91 KLKB1 (0.43) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL6096291 0.90 F2 (0.43) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL6096550 0.90 PLAU (0.43) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL6095441 0.90 MEN1 (0.52) NPC1MEN1KMT2ARAB9ANPSR1
SCHEMBL6095585 0.89 KCNMA1 (0.47) NPC1MEN1KMT2ARAB9ANPSR1
SCHEMBL6095885 0.88 TMPRSS4 (0.50) MEN1KMT2AKLKB1KDRP2RX1
SCHEMBL6097420 0.88 KMT2A (0.49) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL6096672 0.88 TMPRSS4 (0.50) NPC1MEN1KMT2ARAB9ACASP3

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 NPC1 1501/4885MEN1 4600/4885KMT2A 2280/4885

“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.