SCHEMBL6096700

SCHEMBL6096700

COC1=C(OC)C(=O)C(Cc2ccc(Oc3cccnc3)c(C(=O)N3CCOCC3)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.37
PARP1 P09874 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6096245 0.92 DRD2 (0.41) DRD2DRD3ALDH1A1KDM4EGAA
SCHEMBL6095888 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1GAAKMT2A
SCHEMBL6097631 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ECNR1L3MBTL1GAA
SCHEMBL6096165 0.88 L3MBTL1 (0.47) ALDH1A1KDM4ECNR1CNR2L3MBTL1
SCHEMBL6096031 0.88 P2RY12 (0.45) ALDH1A1KDM4EKMT2A
SCHEMBL6095118 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EGAAKMT2AHTT
SCHEMBL5859251 0.86 HTT (0.43) ALDH1A1KMT2APARP1HTT
SCHEMBL5859030 0.84 HTT (0.42) DRD2DRD3ALDH1A1KDM4EHTT
SCHEMBL6095213 0.83 HSD17B10 (0.42) ALDH1A1KDM4EGAALMNAKMT2A
SCHEMBL6098329 0.83 PKM (0.44) ALDH1A1KDM4EGAAKMT2AHTT

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 DRD2 4764/4885DRD3 4807/4885ALDH1A1 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.