SCHEMBL6094865

SCHEMBL6094865

COC1=C(OC)C(=O)C(Cc2ccc(Oc3cccc(OC)c3)c(C(=O)N3CCCCC3)c2)=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
SLC6A4 P31645 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 2/20 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
SCHEMBL6094427 0.93 TSHR (0.44) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL6096165 0.91 L3MBTL1 (0.47) ALDH1A1HPGDSLC6A4HRH3POLB
SCHEMBL6096444 0.89 GAA (0.50) ALDH1A1HPGDPOLBSMN1; SMN2LMNA
SCHEMBL6095989 0.88 GAA (0.39) ALDH1A1HPGDPOLBSMN1; SMN2LMNA
SCHEMBL6096245 0.88 DRD2 (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL5859097 0.85 ALDH1A1 (0.45) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL6098091 0.85 KMT2A (0.43) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL6097299 0.85 KDM4E (0.59) POLBKDM4ELMNA
SCHEMBL6094041 0.84 LPAR5 (0.45) ALDH1A1HPGDPOLBSMN1; SMN2LMNA
SCHEMBL6097631 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT

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 ALDH1A1 1508/4885HPGD 604/4885SLC6A4 4745/4885

“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.