SCHEMBL709108

SCHEMBL709108

Cc1cc(C)cc(C=CC=Cc2ccccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ATM Q13315 1/20 0.52
MAPK1 P28482 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
XBP1 P17861 2/20 0.41
PAX8 Q06710 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
IKBKB O14920 3/20 0.41
RAF1 P04049 3/20 0.41
RPS6KB1 P23443 3/20 0.41
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
KDR P35968 3/20 0.41

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
SCHEMBL709107 1.00 PTGS1 (0.54) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709599 0.86 NPC1 (0.48) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709598 0.86 NPC1 (0.48) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709612 0.84 MEN1 (0.54) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709611 0.84 MEN1 (0.54) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709945 0.81 PTGS1 (0.82) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709946 0.81 PTGS1 (0.82) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709004 0.81 NPC1 (0.50) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709003 0.81 NPC1 (0.50) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL721182 0.80 MEN1 (0.79) PTGS1PTGS2NPC1RAB9AMEN1

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 PTGS1 1963/4885PTGS2 1985/4885NPC1 19/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 PTGS1 2192/4885PTGS2 2268/4885NPC1 48/4885

“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.