SCHEMBL13129293

SCHEMBL13129293

CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.69
NAAA Q02083 1/20 0.65
EPHX1 P07099 5/20 0.58
FAAH O00519 4/20 0.56
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
EPHX2 P34913 4/20 0.54
DNM1 Q05193 1/20 0.53
POLB P06746 1/20 0.50
POLA1 P09884 1/20 0.50

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
SCHEMBL4093621 1.00 CASP2 (0.69) CASP2NAAAEPHX1FAAHCA12
SCHEMBL10728553 0.92 CASP2 (0.57) CASP2NAAAEPHX1FAAHCA12
SCHEMBL28279281 0.91 CASP2 (0.67) CASP2NAAAEPHX1FAAHCA12
SCHEMBL8576702 0.91 CASP2 (0.67) CASP2NAAAEPHX1FAAHCA12
SCHEMBL9118774 0.91 CASP2 (0.67) CASP2NAAAEPHX1FAAHCA12
SCHEMBL23052003 0.91 CASP2 (0.67) CASP2NAAAEPHX1FAAHCA12
SCHEMBL6584132 0.91 CASP2 (0.67) CASP2NAAAEPHX1FAAHCA12
SCHEMBL9118282 0.91 CASP2 (0.67) CASP2NAAAEPHX1FAAHCA12
SCHEMBL28569352 0.91 CASP2 (0.67) CASP2NAAAEPHX1FAAHCA12
SCHEMBL14073969 0.91 CASP2 (0.67) CASP2NAAAEPHX1FAAHCA12

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CASP2 3205/4885NAAA 1019/4885EPHX1 3061/4885
US-20100239659-A1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTI-CANCER AGENTS CD44, EPCAM, EGFR CASP2 3257/4885NAAA 1109/4885EPHX1 2622/4885

“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.