SCHEMBL6094427

SCHEMBL6094427

COC1=C(OC)C(=O)C(Cc2ccc(Oc3ccccc3)c(C(=O)N3CCCCC3)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL6094865 0.93 ALDH1A1 (0.42) TSHRALDH1A1NPC1GAAKMT2A
SCHEMBL6095989 0.92 GAA (0.39) TSHRALDH1A1NPC1GAAKMT2A
SCHEMBL6097631 0.91 ALDH1A1 (0.44) TSHRALDH1A1GAAKMT2ALMNA
SCHEMBL6096444 0.90 GAA (0.50) TSHRALDH1A1NPC1GAAKMT2A
SCHEMBL6096245 0.89 DRD2 (0.41) ALDH1A1GAAKMT2AHPGDLMNA
SCHEMBL6095437 0.88 SCN9A (0.48) TSHRALDH1A1NPC1KMT2AHPGD
SCHEMBL6096386 0.87 MEN1 (0.45) TSHRALDH1A1NPC1GAAKMT2A
SCHEMBL6098091 0.87 KMT2A (0.43) ALDH1A1NPC1GAAKMT2AHPGD
SCHEMBL6094041 0.86 LPAR5 (0.45) ALDH1A1NPC1GAAKMT2AHPGD
SCHEMBL6094941 0.85 KDM4E (0.47) ALDH1A1KMT2AHPGD

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 TSHR 4857/4885ALDH1A1 1508/4885NPC1 1501/4885

“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.