SCHEMBL2675895

SCHEMBL2675895

CC(C)(C)OC(=O)C(O)(CN)CN

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL28449346 0.81 DGAT1 (0.43) DGAT1KDM4ETDP1MAOAMAOB
SCHEMBL12503127 0.78 DGAT1 (0.44) DGAT1KDM4ETDP1MAOAMAOB
SCHEMBL26815955 0.78 DGAT1 (0.44) DGAT1TDP1
SCHEMBL27562941 0.77 DGAT1 (0.40) DGAT1KDM4ETDP1
SCHEMBL3383788 0.76 DGAT1 (0.43) DGAT1KDM4ETDP1MAOAMAOB
SCHEMBL18817843 0.76 DGAT1 (0.43) DGAT1KDM4ETDP1MAOAMAOB
Hydrochloric Acid SCHEMBL16742421 0.76 DGAT1 (0.43) DGAT1KDM4ETDP1MAOAMAOB
SCHEMBL8136250 0.76 DGAT1 (0.39) DGAT1KDM4E
SCHEMBL25388987 0.74 DGAT1 (0.41) DGAT1TDP1
SCHEMBL6583636 0.74 DGAT1 (0.41) DGAT1KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167103-B1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTICANCER AGENTS ALLEXCEL INC (US) 2017-03-01 EP claimed
US-9770442-B2 Self-assembling amphiphilic polymers as anti-cancer agents ALLEXCEL INC. (US) 2017-09-26 US disclosed
EP-2167103-B1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTICANCER AGENTS ALLEXCEL INC (US) 2017-03-01 EP disclosed
EP-2120974-B1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS ALLEXCEL INC (US) 2017-03-01 EP disclosed
EP-1979407-B1 SOLUBILIZATION AND TARGETED DELIVERY OF DRUGS WITH SELF-ASSEMBLING AMPHIPHILIC POLYMERS ALLEXCEL INC (US) 2014-08-06 EP disclosed
US-8173764-B2 Solubilization and targeted delivery of drugs with self-assembling amphiphilic polymers ALLEXCEL INC. (US) 2012-05-08 US disclosed
US-20100260743-A1 Solubilization and Targeted Delivery of Drugs With Self-Assembling Amphiphilic Polymers ALLEXCEL, INC. (US) 2010-10-14 US disclosed
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS ALLEXCEL., INC. (US) 2010-09-23 US disclosed
US-20100008938-A1 SELF ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS ALLEXCEL, INC. 2010-01-14 US disclosed
EP-2120974-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS Allexcel, Inc. (US) 2009-11-25 EP disclosed
EP-1979407-A1 SOLUBILIZATION AND TARGETED DELIVERY OF DRUGS WITH SELF-ASSEMBLING AMPHIPHILIC POLYMERS Allexcel, Inc. (US) 2008-10-15 EP disclosed
WO-2008091246-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS ALLEXCEL, INC. (US) 2008-07-31 WO disclosed
WO-2007084126-A1 SOLUBILIZATION AND TARGETED DELIVERY OF DRUGS WITH SELF-ASSEMBLING AMPHIPHILIC POLYMERS ALLEXCEL, INC. (US) 2007-07-26 WO 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-20100008938-A1 SELF ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS PICALM, CLTA, HAVCR2 DGAT1 2031/4885KDM4E 4202/4885TDP1 2144/4885
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS CD44, EPCAM, EGFR DGAT1 2052/4885KDM4E 4542/4885TDP1 3885/4885
US-20100260743-A1 Solubilization and Targeted Delivery of Drugs With Self-Assembling Amphiphilic Polymers CD44, ABCG2, ABCC1 DGAT1 2620/4885KDM4E 4817/4885TDP1 2628/4885

“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.