SCHEMBL6097644

SCHEMBL6097644

COC1=C(OC)C(=O)C(Cc2ccc(Oc3ccccc3)c(C(=O)N3CCCc4ccccc43)c2)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
TSHR P16473 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL6095995 0.83 POLB (0.44) ALDH1A1SMN1; SMN2LMNAPDE4BPDE4D
SCHEMBL6097631 0.80 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2LMNAKDM4E
SCHEMBL6094941 0.80 KDM4E (0.47) ALDH1A1KDM4EKMT2A
SCHEMBL6096386 0.80 MEN1 (0.45) ALDH1A1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL6095989 0.76 GAA (0.39) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL6096245 0.74 DRD2 (0.41) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL6096165 0.73 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL6096444 0.73 GAA (0.50) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL6097299 0.73 KDM4E (0.59) LMNAKDM4E
SCHEMBL6095888 0.73 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2KDM4EKMT2A

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 1508/4885TSHR 4857/4885SMN1; SMN2 4307/4885

“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.