SCHEMBL13699047

SCHEMBL13699047

CC(C)COC/C=C/c1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.54
PDGFRA P16234 3/20 0.54
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 3/20 0.48
TLR8 Q9NR97 3/20 0.44
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.37
MET P08581 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL13699174 0.85 PDGFRB (0.58) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL25584023 0.83 PDGFRB (0.56) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL14158089 0.81 PDGFRB (0.61) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL17461321 0.81 PDGFRB (0.61) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL12132423 0.81 PDGFRB (0.61) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL10130645 0.81 PDGFRB (0.61) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL14268916 0.78 PDGFRB (0.56) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL2056162 0.76 PDGFRB (0.67) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL15850346 0.76 PDGFRB (0.67) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E
SCHEMBL10162435 0.76 PDGFRB (0.67) PDGFRBPDGFRAKMT2ASMN1; SMN2KDM4E

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-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-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 PDGFRB 3984/4885PDGFRA 3854/4885KMT2A 3679/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 PDGFRB 2499/4885PDGFRA 2442/4885KMT2A 3455/4885

“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.