SCHEMBL14726589

SCHEMBL14726589

CCCOc1ccc(CCCCc2ccc(OCCOS(=O)(=O)c3ccc(C)cc3)c(OCCOS(=O)(=O)c3ccc(C)cc3)c2)cc1OCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ RAD52 P43351 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 2/20 0.38

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
SCHEMBL11911915 0.95 BIRC5 (0.47) BIRC5KMT2AMAPTMEN1HTT
SCHEMBL7320143 0.78 LMNA (0.51) KMT2AMAPTHTTCA12CA1
SCHEMBL457964 0.77 LMNA (0.44) KMT2AMAPTHTTNPSR1ALDH1A1
SCHEMBL8498573 0.77 CA2 (0.51) KMT2AMEN1HTTCA12CA1
SCHEMBL21751904 0.77 CA12 (0.39) KMT2AMEN1CA12CA1CA9
SCHEMBL28572114 0.76 CA12 (0.46) KMT2AMAPTMEN1HTTMAPK1
SCHEMBL8499603 0.76 CA2 (0.53) HTTMAPK1CA12CA1CA9
SCHEMBL11815908 0.76 L3MBTL1 (0.58) KMT2AMAPTMEN1HTTMAPK1
SCHEMBL11202364 0.75 EPHX2 (0.50) KMT2AALDH1A1KDM4ELMNAPOLB
SCHEMBL18926554 0.75 CA2 (0.53) KMT2AMEN1HTTCA12CA1

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-20170044121-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2017-02-16 — — US disclosed
US-9481660-B2 Tetra-O-substituted butane-bridge modified NDGA derivatives, their synthesis and pharmaceutical use ERIMOS PHARMACEUTICALS, LLC (US) 2016-11-01 — — US disclosed
US-20140221384-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2014-08-07 — — US disclosed
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE ERIMOS PHARMACEUTICALS LLC (US) 2013-02-28 — — US 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 (3 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-20170044121-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE PTGES, HPGDS, HPGD BIRC5 1323/4885KMT2A 2334/4885MAPT 326/4885
US-20140221384-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMAECUTICAL USE PTGES, HPGDS, HPGD BIRC5 1323/4885KMT2A 2334/4885MAPT 326/4885
US-20130053378-A1 TETRA-O-SUBSTITUTED BUTANE-BRIDGE MODIFIED NDGA DERIVATIVES, THEIR SYNTHESIS AND PHARMACEUTICAL USE PTGES, HPGDS, HPGD BIRC5 1575/4885KMT2A 2145/4885MAPT 315/4885

“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.

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