SCHEMBL18878750

SCHEMBL18878750

CCCNC(=O)CCNC=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.56
ADH1A P07327 3/20 0.56
ADH7 P40394 3/20 0.56
CASP2 P42575 1/20 0.48
ADH1C P00326 2/20 0.46
CNR1 P21554 1/20 0.46
NAAA Q02083 1/20 0.46
EPHX1 P07099 2/20 0.45
ADH4 P08319 1/20 0.45
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.40
FAAH O00519 2/20 0.40
PAOX Q6QHF9 1/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL22455943 0.86 CNR1 (0.46) ADH1BADH1AADH7CASP2ADH1C
SCHEMBL6025053 0.85 FAAH (0.47) ADH1BADH1AADH7CASP2ADH1C
SCHEMBL22134304 0.83 CASP2 (0.59) ADH1BADH1AADH7CASP2ADH1C
SCHEMBL8563842 0.81 CNR1 (0.44) CNR1NAAAMEN1KMT2AFAAH
SCHEMBL889215 0.80 PAOX (0.48) CASP2CNR1NAAAEPHX1MCL1
SCHEMBL22242831 0.80 CASP2 (0.66) ADH1BADH1AADH7CASP2ADH1C
SCHEMBL3351989 0.79 CASP2 (0.56) CASP2CNR1NAAAEPHX1MCL1
SCHEMBL21300811 0.79 SLC6A5 (0.39) ADH1BADH1AADH7CASP2ADH1C
SCHEMBL22694320 0.79 CASP2 (0.59) CASP2CNR1NAAAEPHX1MCL1
SCHEMBL10892758 0.79 HDAC3 (0.43) ADH1BADH1AADH7CASP2ADH1C

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-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL ADH1B 1218/4885ADH1A 3611/4885ADH7 1702/4885

“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.