SCHEMBL4473619

SCHEMBL4473619

O=CNCCc1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ADH1B P00325 3/20 0.38
ADH1A P07327 3/20 0.38
ADH7 P40394 3/20 0.38
ADH1C P00326 2/20 0.38
SIGMAR1 Q99720 7/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
GFER P55789 1/20 0.32
PMP22 Q01453 1/20 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
SCHEMBL8129476 0.88 SIGMAR1 (0.41) ADH1BADH1AADH7ADH1CSIGMAR1
SCHEMBL8763412 0.84 LMNA (0.50) LMNAADH1BADH1AADH7ADH1C
SCHEMBL8763272 0.78 LMNA (0.46) LMNAADH1BADH1AADH7ADH1C
SCHEMBL6566420 0.78 ADH1B (0.61) ADH1BADH1AADH7ADH1CMEN1
SCHEMBL56059 0.78 ADH1B (0.61) LMNAADH1BADH1AADH7ADH1C
SCHEMBL27281796 0.76
SCHEMBL23266841 0.75 GFER (0.52) LMNAADH1BADH1AADH7ADH1C
SCHEMBL2807183 0.75 ALDH1A1 (0.50) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL10433880 0.75 ADH1B (0.50) LMNAADH1BADH1AADH7ADH1C
SCHEMBL16404456 0.75 L3MBTL1 (0.50) LMNAADH1BADH1AADH7ADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 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-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 LMNA 1736/4885ADH1B 3869/4885ADH1A 2995/4885

“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.