SCHEMBL6095940

SCHEMBL6095940

COC(=O)COc1ccc(CC2=C(C)C(=O)C(OC)=C(OC)C2=O)cc1C(=O)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6096036 0.91 PTPN1 (0.40) NPC1GAAKMT2AALDH1A1LMNA
SCHEMBL6097708 0.91 ALDH1A1 (0.43) GAAKMT2AALDH1A1MAPK1HTT
SCHEMBL6096444 0.89 GAA (0.50) NPC1GAAKMT2AALDH1A1LMNA
SCHEMBL6095437 0.87 SCN9A (0.48) NPC1KMT2AALDH1A1LMNAMAPT
SCHEMBL6098091 0.86 KMT2A (0.43) NPC1GAAKMT2AALDH1A1LMNA
SCHEMBL6094041 0.85 LPAR5 (0.45) NPC1GAAKMT2AALDH1A1LMNA
SCHEMBL6094905 0.85 SCN9A (0.42) NPC1GAAKMT2AALDH1A1LMNA
SCHEMBL6094427 0.84 TSHR (0.44) NPC1GAAKMT2AALDH1A1LMNA
SCHEMBL6096050 0.83 GAA (0.40) GAAKMT2AALDH1A1LMNAMAPT
SCHEMBL6094865 0.83 ALDH1A1 (0.42) NPC1GAAKMT2AALDH1A1LMNA

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 NPC1 1501/4885GAA 781/4885KMT2A 2280/4885

“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.