SCHEMBL6095843

SCHEMBL6095843

COc1c(C)c(Cc2cccc(OCc3ccccc3)c2C=O)c(OC)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCHE P06276 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABCB1 P08183 3/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HTR1A P08908 5/20 0.41
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
DRD2 P14416 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL5859062 0.83 BCHE (0.42) L3MBTL1MAPTMAPK1TDP1BCHE
SCHEMBL6095629 0.82 FOLH1 (0.55) L3MBTL1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL27596110 0.80 KDM4E (0.45) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5858967 0.77 ALDH1A1 (0.45) L3MBTL1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL5859038 0.77 ALDH1A1 (0.45) L3MBTL1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL5859253 0.77 CA1 (0.44) MAPTTDP1ALDH1A1
SCHEMBL5859876 0.76 PTGER1 (0.46) L3MBTL1MAPTTDP1BCHESMN1; SMN2
SCHEMBL751846 0.76 MAPT (0.57) L3MBTL1MAPTMAPK1TDP1BCHE
SCHEMBL27596111 0.75 TLR2 (0.42) SMN1; SMN2NPC1RAB9AHTR1AADRA1D
SCHEMBL27578074 0.74 PTGER1 (0.50) L3MBTL1MAPTTDP1SMN1; SMN2ALDH1A1

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 3 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 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 L3MBTL1 3418/4885MAPT 2457/4885MAPK1 845/4885

“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.