SCHEMBL6096935

SCHEMBL6096935

COC(=O)COc1ccc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)cc1C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.43
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6097174 0.91 NPSR1 (0.39) P2RY12GAANPSR1ALDH1A1KDM4E
SCHEMBL6096479 0.91 SCN9A (0.41) GAAALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL6098137 0.86 HSD17B10 (0.52) P2RY12GAANPSR1ALDH1A1KDM4E
SCHEMBL6097805 0.85 HPGD (0.43) GAANPSR1ALDH1A1KDM4EHTT
SCHEMBL6096592 0.83 HSP90AA1 (0.45) GAAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL6095393 0.82 P2RY12 (0.46) P2RY12NPSR1ALDH1A1KDM4EKMT2A
SCHEMBL6096039 0.82 SCN9A (0.40) GAAALDH1A1KDM4EHTTKMT2A
SCHEMBL6096999 0.82 ALDH1A1 (0.42) GAAALDH1A1KDM4EHTTKMT2A
SCHEMBL6097708 0.80 ALDH1A1 (0.43) P2RY12GAANPSR1ALDH1A1KDM4E
SCHEMBL6097437 0.79 DRD2 (0.41) ALDH1A1KDM4EHTTKMT2AHPGD

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 P2RY12 4541/4885GAA 781/4885NPSR1 3932/4885

“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.