SCHEMBL6097437

SCHEMBL6097437

COc1c(C)c(Cc2ccc(Oc3cccnc3)c(C(=O)N3CCOCC3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP3A4 P08684 1/20 0.37
SELE P16581 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6096946 0.92 DRD2 (0.42) DRD2DRD3ALDH1A1KDM4ERAB9A
SCHEMBL6096999 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDJAK2JAK1
SCHEMBL6095393 0.88 P2RY12 (0.46) ALDH1A1KDM4EHPGDJAK2JAK1
SCHEMBL5862129 0.85 HTT (0.44) ALDH1A1KDM4EHPGDJAK2JAK1
SCHEMBL5862071 0.84 JAK2 (0.44) ALDH1A1KDM4EHPGDJAK2JAK1
SCHEMBL6096700 0.83 DRD2 (0.40) DRD2DRD3ALDH1A1KDM4EL3MBTL1
SCHEMBL6097805 0.82 HPGD (0.43) ALDH1A1KDM4EHPGDL3MBTL1MEN1
SCHEMBL6098034 0.81 KMT2A (0.39) ALDH1A1KDM4EHPGDMEN1RAB9A
SCHEMBL6098137 0.80 HSD17B10 (0.52) ALDH1A1KDM4EHPGDMEN1RAB9A
SCHEMBL6096592 0.79 HSP90AA1 (0.45) ALDH1A1KDM4EHPGDL3MBTL1RAB9A

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.