SCHEMBL21156928

SCHEMBL21156928

CC(C)CCCCc1ccc(-n2cc(CCCO)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.52
DDX3X O00571 4/20 0.47
NOTUM Q6P988 6/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
GSK3B P49841 1/20 0.47
BCHE P06276 1/20 0.43
P2RX7 Q99572 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CD74 P04233 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL21156929 0.94 MIF (0.50) MIFDDX3XNOTUMBCHEP2RX7
SCHEMBL21157740 0.90 NOTUM (0.57) MIFDDX3XNOTUMBCHEP2RX7
SCHEMBL21156875 0.89 MIF (0.60) MIFDDX3XBCHECA12CA1
SCHEMBL15060974 0.86 MIF (0.71) MIFDDX3XNOTUMJAK2ROCK2
SCHEMBL21156459 0.85 NOTUM (0.52) MIFDDX3XNOTUMBCHECA12
SCHEMBL13527245 0.85 MIF (0.69) MIFDDX3XNOTUMJAK2ROCK2
SCHEMBL21156932 0.84 NOTUM (0.50) MIFDDX3XNOTUMBCHECA12
SCHEMBL13527022 0.82 MIF (0.52) MIFNOTUMJAK2ROCK2GSK3B
SCHEMBL21157760 0.82 NOTUM (0.51) MIFDDX3XNOTUMROCK2P2RX7
SCHEMBL21156454 0.82 DDX3X (0.45) MIFDDX3XNOTUMBCHECD74

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MIF 196/4885DDX3X 3177/4885NOTUM 3719/4885

“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.