SCHEMBL5199651

SCHEMBL5199651

CC(C)(C)OC(=O)NCCCC=CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
EPHX1 P07099 1/20 0.39
HTT P42858 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL8892710 1.00 MEN1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3462865 0.95 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3462867 0.95 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8411840 0.94 TDP1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL7438984 0.94 TDP1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14312158 0.90 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL16858665 0.87 EPHX2 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL28497839 0.87 EPHX2 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13504656 0.87 TDP1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL28922732 0.86 TDP1 (0.53) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP claimed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP claimed
EP-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP disclosed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP disclosed
EP-0773950-B1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2007-08-22 EP disclosed
US-20030105286-A1 Linked peptide nucleic acids EGHOLM MICHAEL (US) 2003-06-05 US disclosed
US-6451968-B1 HOOGSTEEN TYPE BASE PAIRING IN TRIPLEX MOTIF; DIAGNOSIS; HEAT RESISTANCE; DETECTION OF POINT MUTATIONS, RESTRICTION ENZYME SITES, AND TRANSCRIPTION INHIBITION ISIS PHARMACEUTICALS, INC. 2002-09-17 US disclosed
US-6441130-B1 FORM TRIPLE STRANDED STRUCTURES WITH NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2002-08-27 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 (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-20030105286-A1 Linked peptide nucleic acids RNGTT, NT5C3B, DPYD MEN1 4398/4885GAA 2330/4885KMT2A 4203/4885

“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.