SCHEMBL6095093

SCHEMBL6095093

COC(=O)c1cc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)ccc1Oc1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MTNR1B P49286 5/20 0.41
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 3/20 0.39
LMNA P02545 2/20 0.39
IDH1 O75874 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6097784 0.91 HPGD (0.41) KDM4EPOLBHPGDMAPTALDH1A1
SCHEMBL6095164 0.90 KDM4E (0.60) KDM4EPOLBMTNR1BALDH1A1MTNR1A
SCHEMBL27581050 0.86 PDE10A (0.41) KDM4EMTNR1BMAPTALDH1A1GAA
SCHEMBL5859154 0.83 KDM4E (0.49) KDM4EMTNR1BHPGDMAPTALDH1A1
SCHEMBL6098146 0.82 KDM4E (0.48) KDM4EPOLBHPGDALDH1A1
SCHEMBL5859909 0.80 FOLH1 (0.46) MTNR1BHPGDMAPTALDH1A1MTNR1A
SCHEMBL27596131 0.78 KDM4E (0.46) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL5859111 0.78 CA12 (0.48) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL5859054 0.78 KDM4E (0.60) KDM4EHPGDMAPTALDH1A1GAA
SCHEMBL5859880 0.76 HTR7 (0.42) KDM4EPOLBHPGDMAPTALDH1A1

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 KDM4E 1491/4885POLB 294/4885MTNR1B 1624/4885

“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.