SCHEMBL6098348

SCHEMBL6098348

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(OC)cc3)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 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
CFD P00746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6098023 0.92 CCR5 (0.48) CCR5NPC1MEN1KMT2ACYP2C9
SCHEMBL6095441 0.92 MEN1 (0.52) NPC1MEN1KMT2ACYP2C9HDAC8
SCHEMBL6095894 0.91 CA1 (0.42) CCR5NPC1MEN1KMT2ACYP2C9
SCHEMBL6094337 0.91 CCR5 (0.43) CCR5NPC1MEN1KMT2ACYP2C9
SCHEMBL6095530 0.91 ALDH1A1 (0.47) NPC1MEN1KMT2AHDAC8NPSR1
SCHEMBL6095718 0.91 PKM (0.52) CCR5NPC1KMT2ACYP2C9NPSR1
SCHEMBL6097613 0.90 KMT2A (0.47) NPC1MEN1KMT2ACYP2C9NPSR1
SCHEMBL6096112 0.89 PPARA (0.50) CCR5CYP2C9NPSR1KDM4ETDP1
SCHEMBL6095243 0.89 KMT2A (0.46) CCR5NPC1MEN1KMT2ACYP2C9
SCHEMBL6096541 0.89 SIRT2 (0.41) CCR5NPC1MEN1KMT2ACYP2C9

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.