SCHEMBL21118907

SCHEMBL21118907

CCCCCC(C)(CCCC)CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GNAO1 P09471 5/20 0.32
GNAI3 P08754 4/20 0.32
GNAI1 P63096 4/20 0.32
TSHR P16473 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
SCHEMBL21348433 0.98 LTA4H (0.37) LTA4HKMT2AALDH1A1L3MBTL1HRH3
SCHEMBL25005825 0.96 LTA4H (0.38) LTA4HKMT2AALDH1A1L3MBTL1HRH3
SCHEMBL21348469 0.96 LTA4H (0.33) LTA4HKMT2AALDH1A1L3MBTL1HRH3
SCHEMBL22624141 0.92 GNAO1 (0.35) LTA4HKMT2AALDH1A1GNAO1GNAI3
SCHEMBL25006793 0.92 HRH3 (0.31) LTA4HHRH3TSHR
SCHEMBL25696365 0.92 GNAO1 (0.35) LTA4HKMT2AALDH1A1GNAO1GNAI3
SCHEMBL25789578 0.90 HRH3 (0.33) LTA4HKMT2AALDH1A1L3MBTL1HRH3
SCHEMBL18476687 0.88 HRH3 (0.31) LTA4HHRH3TSHR
SCHEMBL22648600 0.85 GNAO1 (0.40) ALDH1A1GNAO1GNAI3GNAI1
SCHEMBL24123133 0.83 GNAO1 (0.42) ALDH1A1L3MBTL1GNAO1GNAI3GNAI1

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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R LTA4H 1033/4885KMT2A 2283/4885ALDH1A1 3264/4885

“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.