SCHEMBL6096733

SCHEMBL6096733

COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3cccnc3OC)c2)=C(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.39
KDR P35968 4/20 0.39
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
ATR Q13535 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
NAMPT P43490 1/20 0.36
GPR6 P46095 1/20 0.36
KCNMA1 Q12791 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL6094169 0.90 POLB (0.45) ALDH1A1KDRMAPTRAB9AMEN1
SCHEMBL6097071 0.88 KDR (0.37) ALDH1A1L3MBTL1KDRKDM4EIRAK4
SCHEMBL6094733 0.87 ALDH1A1 (0.40) ALDH1A1BRD4BRPF1KDM4ETSHR
SCHEMBL6095116 0.86 SMN1; SMN2 (0.40) ALDH1A1KDM4ETSHRMAPTKCNMA1
SCHEMBL6094680 0.85 KCNMA1 (0.51) ALDH1A1L3MBTL1KDM4EGAAKCNMA1
SCHEMBL6095585 0.84 KCNMA1 (0.47) ALDH1A1KDM4ENPSR1GAAMAPT
SCHEMBL6096098 0.84 KMT2A (0.39) ALDH1A1L3MBTL1NPSR1GAAMAPT
SCHEMBL6096887 0.83 MAPK1 (0.48) ALDH1A1TSHRGAAMAPTMEN1
SCHEMBL6095804 0.82 PDE4A (0.47) ALDH1A1KDRMAPTRAB9AMEN1
SCHEMBL6094593 0.82 KCNMA1 (0.52) ALDH1A1KDM4ETSHRGAAMAPT

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 ALDH1A1 1508/4885L3MBTL1 3418/4885KDR 3259/4885

“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.