SCHEMBL6095441

SCHEMBL6095441

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 4/20 0.52
HDAC8 Q9BY41 1/20 0.52
CYP2C9 P11712 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 3/20 0.48
AHR P35869 2/20 0.48
TP53 P04637 3/20 0.48
NR1H4 Q96RI1 1/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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) MEN1KMT2ANPC1HDAC8CYP2C9
SCHEMBL6097524 0.92 NPC1 (0.46) MEN1KMT2ANPC1HDAC8CYP2C9
SCHEMBL6095834 0.91 MEN1 (0.57) MEN1KMT2ANPC1CYP2C9POLB
SCHEMBL6095584 0.90 MEN1 (0.48) MEN1KMT2ANPC1HDAC8CYP2C9
SCHEMBL6093802 0.90 NPC1 (0.52) MEN1KMT2ANPC1CYP2C9POLB
SCHEMBL6096243 0.90 LRRK2 (0.54) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL5859074 0.88 MEN1 (0.47) MEN1KMT2ANPC1RXFP1POLB
SCHEMBL5862041 0.88 POLB (0.50) MEN1KMT2ANPC1CYP2C9POLB
SCHEMBL6097023 0.87 LRRK2 (0.54) MEN1KMT2ANPC1CYP2C9POLB
SCHEMBL6098023 0.86 CCR5 (0.48) MEN1KMT2ANPC1CYP2C9RXFP1

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 MEN1 4600/4885KMT2A 2280/4885NPC1 1501/4885

“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.