SCHEMBL5859062

SCHEMBL5859062

COc1c(C)c(Cc2cccc(C=O)c2OCc2ccccc2)c(OC)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.42
PTGER4 P35408 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
PTGER1 P34995 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ERN1 O75460 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.37
GPR55 Q9Y2T6 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
SCHEMBL6095843 0.83 L3MBTL1 (0.46) BCHEPTGER4PTGER3PTGER2KDM4E
SCHEMBL9369675 0.82 PTGER3 (0.47) BCHEPTGER4PTGER3PTGER2PTGER1
SCHEMBL5859876 0.81 PTGER1 (0.46) BCHEPTGER4PTGER3PTGER2PTGER1
SCHEMBL28749393 0.81 ALDH1A1 (0.39) CA1CA2KDM4EERN1MAPT
SCHEMBL5859014 0.80 LMNA (0.45) BCHEPTGER4PTGER3PTGER2PTGER1
SCHEMBL6034516 0.78 PTGER4 (0.46) BCHEPTGER4PTGER3PTGER2PTGER1
SCHEMBL5859038 0.78 ALDH1A1 (0.45) PTGER4PTGER2KDM4EL3MBTL1ERN1
SCHEMBL5858967 0.78 ALDH1A1 (0.45) PTGER4PTGER2KDM4EL3MBTL1ERN1
SCHEMBL27596111 0.78 TLR2 (0.42) CA1CA2ERN1ALDH1A1HPGD
SCHEMBL1134296 0.78 CA1 (0.53) PTGER3PTGER2CA1CA2ERN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
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
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP 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
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 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 (2 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 BCHE 3950/4885PTGER4 3729/4885PTGER3 4039/4885
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB BCHE 3388/4885PTGER4 2033/4885PTGER3 2810/4885

“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.