SCHEMBL21786796

SCHEMBL21786796

CCC(C)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 3/20 0.37
GLP1R P43220 8/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
EPHX2 P34913 2/20 0.32

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
SCHEMBL19662071 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL21786693 0.88 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL24621915 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL23879753 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL23106273 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL19431100 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL22856965 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDCA12
SCHEMBL26034134 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDCA12
SCHEMBL21575544 0.81 HPGD (0.43) MEN1KMT2AHPGDGLP1RCYP2D6
SCHEMBL21787000 0.81 FAAH (0.49) GLP1R

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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT MEN1 3489/4885KMT2A 1738/4885ALDH1A1 1026/4885

“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.