SCHEMBL6098023

SCHEMBL6098023

COC1=C(OC)C(=O)C(Cc2ccc(C(=O)Nc3ccc(OC)cc3)c(OC(C)=O)c2)=C(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.48
NPC1 O15118 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KLKB1 P03952 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
MAOB P27338 1/20 0.41
CYP2C9 P11712 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6098348 0.92 CCR5 (0.48) CCR5NPC1MEN1KMT2ARAB9A
SCHEMBL6097040 0.87 GAA (0.48) NPC1MEN1KMT2ARAB9AABCG2
SCHEMBL6095401 0.87 RXFP1 (0.43) CA1CA2CA7CA9RXFP1
SCHEMBL6097523 0.86 LMNA (0.47) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL6095441 0.86 MEN1 (0.52) NPC1MEN1KMT2ARAB9AABCG2
SCHEMBL6096898 0.85 KDM4E (0.46) NPC1KMT2ARAB9ALMNAKDM4E
SCHEMBL6093802 0.84 NPC1 (0.52) NPC1MEN1KMT2ARAB9AKLKB1
SCHEMBL6094337 0.84 CCR5 (0.43) CCR5NPC1MEN1KMT2ARAB9A
SCHEMBL6095894 0.84 CA1 (0.42) CCR5NPC1MEN1KMT2ARAB9A
SCHEMBL6095530 0.84 ALDH1A1 (0.47) NPC1MEN1KMT2ALMNAKDM4E

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 CCR5 4329/4885NPC1 1501/4885MEN1 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.