SCHEMBL6097174

SCHEMBL6097174

COc1c(C)c(Cc2ccc(OCC(=O)OC(C)(C)C)c(C(=O)N3CCOCC3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
P2RY12 Q9H244 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6096039 0.91 SCN9A (0.40) ALDH1A1KDM4EHTTGAAHPGD
SCHEMBL6096935 0.91 P2RY12 (0.43) NPSR1ALDH1A1KDM4EHTTGAA
SCHEMBL7064703 0.87 P2RY12 (0.42) NPSR1ALDH1A1KDM4EGAAP2RY12
SCHEMBL6098137 0.83 HSD17B10 (0.52) NPSR1ALDH1A1KDM4EHTTGAA
SCHEMBL6095341 0.82 MTNR1A (0.41) NPSR1ALDH1A1KDM4EHTTGAA
SCHEMBL6096479 0.82 SCN9A (0.41) ALDH1A1HTTGAAHPGDSMN1; SMN2
SCHEMBL6097805 0.82 HPGD (0.43) NPSR1ALDH1A1KDM4EHTTGAA
SCHEMBL6095642 0.81 NPSR1 (0.40) NPSR1ALDH1A1KDM4EHTTGAA
SCHEMBL6096592 0.80 HSP90AA1 (0.45) ALDH1A1KDM4EHTTGAAHPGD
SCHEMBL6095393 0.79 P2RY12 (0.46) NPSR1ALDH1A1KDM4EP2RY12HPGD

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 NPSR1 3932/4885ALDH1A1 1508/4885KDM4E 1491/4885

“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.