SCHEMBL2676200

SCHEMBL2676200

CC(C)(C)OC(=O)CCCCCS

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
FOLH1 Q04609 2/20 0.43
HDAC1 Q13547 6/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC4 P56524 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
DGKA P23743 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
HDAC3 O15379 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
DNM1 Q05193 1/20 0.34
HDAC7 Q8WUI4 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6740235 0.98 FOLH1 (0.44) EPHX2FOLH1HDAC1HDAC6HDAC2
SCHEMBL6738496 0.91 EPHX2 (0.39) EPHX2FOLH1HDAC1HDAC6HDAC2
SCHEMBL3251209 0.89 EPHX2 (0.49) EPHX2HDAC1HDAC6HDAC2HDAC8
SCHEMBL2380206 0.89 EPHX2 (0.49) EPHX2HDAC1HDAC6HDAC2HDAC8
SCHEMBL28706088 0.89 EPHX2 (0.49) EPHX2HDAC1HDAC6HDAC2HDAC8
SCHEMBL14482131 0.89 EPHX2 (0.49) EPHX2HDAC1HDAC6HDAC2HDAC8
SCHEMBL3914424 0.89 EPHX2 (0.49) EPHX2HDAC1HDAC6HDAC2HDAC8
SCHEMBL20450540 0.89 EPHX2 (0.49) EPHX2HDAC1HDAC6HDAC2HDAC8
SCHEMBL14482719 0.89 EPHX2 (0.49) EPHX2HDAC1HDAC6HDAC2HDAC8
SCHEMBL28587326 0.89 EPHX2 (0.49) EPHX2HDAC1HDAC6HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770442-B2 Self-assembling amphiphilic polymers as anti-cancer agents ALLEXCEL INC. (US) 2017-09-26 US disclosed
EP-2120974-B1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS ALLEXCEL INC (US) 2017-03-01 EP disclosed
EP-2167103-B1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTICANCER 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
EP-2167103-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTICANCER AGENTS Allexcel, Inc. (US) 2010-03-31 EP 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
WO-2009011702-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTICANCER AGENTS ALLEXCEL, INC. (US) 2009-01-22 WO 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 EPHX2 3403/4885FOLH1 3186/4885HDAC1 2742/4885
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS CD44, EPCAM, EGFR EPHX2 2774/4885FOLH1 1516/4885HDAC1 3230/4885
US-20100260743-A1 Solubilization and Targeted Delivery of Drugs With Self-Assembling Amphiphilic Polymers CD44, ABCG2, ABCC1 EPHX2 1100/4885FOLH1 1113/4885HDAC1 3624/4885

“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.