SCHEMBL6094041

SCHEMBL6094041

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 2/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1B P28222 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6096444 0.91 GAA (0.50) NPC1GAAKMT2AHTTALDH1A1
SCHEMBL6095824 0.91 GAA (0.46) GAAKMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL6098091 0.87 KMT2A (0.43) NPC1GAAKMT2AHTTALDH1A1
SCHEMBL6094427 0.86 TSHR (0.44) NPC1GAAKMT2AHTTALDH1A1
SCHEMBL6096050 0.85 GAA (0.40) GAAKMT2AHTTALDH1A1LMNA
SCHEMBL6095940 0.85 NPC1 (0.41) NPC1GAAKMT2AHTTALDH1A1
SCHEMBL6095437 0.85 SCN9A (0.48) NPC1KMT2AALDH1A1LMNAMAPT
SCHEMBL6094865 0.84 ALDH1A1 (0.42) NPC1GAAKMT2AHTTALDH1A1
SCHEMBL6098381 0.84 CFD (0.43) KMT2AHTTALDH1A1LMNAMAPT
SCHEMBL6095989 0.83 GAA (0.39) NPC1GAAKMT2AHTTALDH1A1

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 LPAR5 4241/4885NPC1 1501/4885GAA 781/4885

“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.