SCHEMBL6097631

SCHEMBL6097631

COC1=C(OC)C(=O)C(Cc2ccc(Oc3ccccc3)c(C(=O)N3CCOCC3)c2)=C(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 4/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6096165 0.93 L3MBTL1 (0.47) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL6095888 0.92 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EL3MBTL1PKM
SCHEMBL6094427 0.91 TSHR (0.44) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL6095118 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EPKMGAAKMT2A
SCHEMBL6096700 0.90 DRD2 (0.40) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL6097512 0.88 HSD17B10 (0.51) ALDH1A1TSHRKDM4EPKMGAA
SCHEMBL6098329 0.87 PKM (0.44) ALDH1A1KDM4EPKMGAAKMT2A
SCHEMBL6095824 0.86 GAA (0.46) ALDH1A1KDM4EPKMGAAKMT2A
SCHEMBL5859144 0.85 EPHX1 (0.43) ALDH1A1TSHRKDM4EPKMLMNA
SCHEMBL6095332 0.85 KCNH2 (0.43) ALDH1A1KDM4EL3MBTL1PKMNPSR1

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 1508/4885TSHR 4857/4885KDM4E 1491/4885

“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.