SCHEMBL709590

SCHEMBL709590

C(/C=C/c1ccccn1)=C\c1ccc2cc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
MAPT P10636 7/20 0.46
APP P05067 6/20 0.46
BACE1 P56817 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
IP6K1 Q92551 1/20 0.41
AHR P35869 3/20 0.40
CMA1 P23946 1/20 0.40
SNCA P37840 1/20 0.39
TRPA1 O75762 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL709591 1.00 CYP2A6 (0.47) CYP2A6MAPTAPPBACE1MEN1
SCHEMBL707637 0.91 CYP2A6 (0.50) CYP2A6MAPTAPPBACE1MEN1
SCHEMBL707636 0.91 CYP2A6 (0.50) CYP2A6MAPTAPPBACE1MEN1
SCHEMBL711011 0.89 CYP2A6 (0.47) CYP2A6MAPTAPPBACE1MEN1
SCHEMBL711010 0.89 CYP2A6 (0.47) CYP2A6MAPTAPPBACE1MEN1
SCHEMBL709076 0.79 CYP2A6 (0.50) CYP2A6MAPTAPPMEN1NPC1
SCHEMBL709077 0.79 CYP2A6 (0.50) CYP2A6MAPTAPPMEN1NPC1
SCHEMBL715858 0.79 RELA (0.52) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL715859 0.79 RELA (0.52) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL710124 0.77 IP6K1 (0.56) MAPTMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB CYP2A6 213/4885MAPT 3896/4885APP 837/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 CYP2A6 173/4885MAPT 3909/4885APP 628/4885

“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.