SCHEMBL13660541

SCHEMBL13660541

CCNC(=O)CNC(=O)CNC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
FAAH O00519 1/20 0.41
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
PSMB5 P28074 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL26559272 1.00 MCL1 (0.43) MCL1FAAHCA1CA2MMP1
SCHEMBL2791750 0.95
Bromide SCHEMBL11516207 0.92
Trifluoroacetic Acid SCHEMBL2587874 0.86 MCL1 (0.34) MCL1FAAHCA1CA2GAA
SCHEMBL22064537 0.82 CA1 (0.38) MCL1CA1CA2ALDH1A1RECQL
SCHEMBL20960533 0.82 KMT2A (0.50) MCL1FAAHMMP1MMP2MMP3
SCHEMBL16802010 0.82 KMT2A (0.50) MCL1FAAHMMP1MMP2MMP3
SCHEMBL1463416 0.82 CA1 (0.38) MCL1CA1CA2ALDH1A1RECQL
SCHEMBL29311849 0.81 TDP1 (0.39) CA1CA2KMT2AGAARECQL
SCHEMBL24198636 0.80 MCL1 (0.43) MCL1FAAHMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 MCL1 4151/4885FAAH 2027/4885CA1 1588/4885

“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.