SCHEMBL13699043

SCHEMBL13699043

CC(C)COC/C=C/c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
NFE2L2 Q16236 6/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
GRM4 Q14833 1/20 0.36
NR4A1 P22736 1/20 0.35
MAOA P21397 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL11502147 0.84 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL13699261 0.81 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2608875 0.76 IDO1 (0.53) NPC1KDM4EMAPK1TDP1
SCHEMBL13699048 0.76 NPC1 (0.36) NPC1RAB9AKDM4EMAPTHTT
SCHEMBL13699039 0.72 CHRNB2 (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL256048 0.71 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL456987 0.71 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL13699047 0.71 PDGFRB (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL22685040 0.70 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL16671616 0.70 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 NPC1 53/4885RAB9A 1907/4885MEN1 3085/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 NPC1 91/4885RAB9A 3390/4885MEN1 3444/4885

“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.