SCHEMBL5859872

SCHEMBL5859872

COc1c(C)c(Cc2ccc(C(=O)O)c(OCc3ccccc3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGER1 P34995 1/20 0.46
FOLH1 Q04609 1/20 0.45
RXRA P19793 2/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
MAOB P27338 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
RXRB P28702 1/20 0.41
RXRG P48443 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
SCHEMBL5859832 0.91 FFAR4 (0.47) MCL1SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL5860287 0.91 FOLH1 (0.57) MCL1SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL27578074 0.88 PTGER1 (0.50) MCL1SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL27579891 0.88 PTGER1 (0.50) MCL1SMN1; SMN2MAPTTDP1L3MBTL1
SCHEMBL6095282 0.85 SCN9A (0.53) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL5859909 0.84 FOLH1 (0.46) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL6097736 0.82 CFD (0.52) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL5859038 0.82 ALDH1A1 (0.45) SMN1; SMN2MAPTTDP1L3MBTL1KDM4E
SCHEMBL6095724 0.81 FOLH1 (0.46) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL6096061 0.80 SYK (0.47) FOLH1MRGPRX4

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 8 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-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
CN-1460097-A NF-kB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY SEIYAKU CO LTD (JP) 2003-12-03 CN 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 MCL1 1391/4885SMN1; SMN2 4307/4885MAPT 2457/4885
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB MCL1 2030/4885SMN1; SMN2 3711/4885MAPT 4242/4885

“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.