SCHEMBL6095989

SCHEMBL6095989

COC1=C(OC)C(=O)C(Cc2ccc(Oc3ccncc3)c(C(=O)N3CCCCC3)c2)=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
NPC1 O15118 2/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL6094427 0.92 TSHR (0.44) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL6095888 0.91 ALDH1A1 (0.41) GAAKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL6096245 0.91 DRD2 (0.41) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL6094905 0.89 SCN9A (0.42) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL6094865 0.88 ALDH1A1 (0.42) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL6096444 0.88 GAA (0.50) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL5859246 0.85 CYP46A1 (0.49) KMT2AALDH1A1HPGDLMNAMAPT
SCHEMBL6098091 0.84 KMT2A (0.43) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL6094041 0.83 LPAR5 (0.45) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL6097631 0.83 ALDH1A1 (0.44) GAAKMT2AALDH1A1LMNAMAPT

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 GAA 781/4885KMT2A 2280/4885ALDH1A1 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.