SCHEMBL6096444

SCHEMBL6096444

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 2/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.43

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
SCHEMBL6098091 0.92 KMT2A (0.43) GAAKMT2AMEN1POLBNPC1
SCHEMBL6094041 0.91 LPAR5 (0.45) GAAKMT2AMEN1POLBNPC1
SCHEMBL6094427 0.90 TSHR (0.44) GAAKMT2AMEN1NPC1HPGD
SCHEMBL6095118 0.90 ALDH1A1 (0.50) GAAKMT2APOLBALDH1A1HTT
SCHEMBL6096050 0.89 GAA (0.40) GAAKMT2AMEN1POLBHPGD
SCHEMBL6095940 0.89 NPC1 (0.41) GAAKMT2AMEN1POLBNPC1
SCHEMBL6095437 0.89 SCN9A (0.48) KMT2AMEN1NPC1HPGDALDH1A1
SCHEMBL6094865 0.89 ALDH1A1 (0.42) GAAKMT2AMEN1POLBNPC1
SCHEMBL6095989 0.88 GAA (0.39) GAAKMT2AMEN1POLBNPC1
SCHEMBL6094905 0.87 SCN9A (0.42) GAAKMT2AMEN1NPC1HPGD

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 2280/4885MEN1 4600/4885

“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.