SCHEMBL6097524

SCHEMBL6097524

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
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
HPGD P15428 1/20 0.41
AHR P35869 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
SCHEMBL6095441 0.92 MEN1 (0.52) NPC1MEN1KMT2AHDAC8KDM4E
SCHEMBL6098348 0.89 CCR5 (0.48) NPC1MEN1KMT2AHDAC8KDM4E
SCHEMBL6095834 0.88 MEN1 (0.57) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL6095584 0.87 MEN1 (0.48) NPC1MEN1KMT2AHDAC8KDM4E
SCHEMBL6093802 0.86 NPC1 (0.52) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL6096243 0.86 LRRK2 (0.54) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL5862041 0.84 POLB (0.50) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL6097023 0.84 LRRK2 (0.54) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL6098381 0.84 CFD (0.43) KMT2AKDM4ETDP1LMNAALDH1A1
SCHEMBL5859074 0.83 MEN1 (0.47) NPC1MEN1KMT2AKDM4ERAB9A

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

“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.