SCHEMBL259461

SCHEMBL259461

Cc1ccc(OCCN2CCOCC2)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
SYK P43405 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.54
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL13723046 0.89 POLB (0.63) POLBSYKSMN1; SMN2ALDH1A1NPC1
SCHEMBL14925324 0.86 TSHR (0.55) POLBSYKALDH1A1KDM4ETSHR
SCHEMBL15872036 0.86 SMN1; SMN2 (0.74) POLBSYKSMN1; SMN2ALDH1A1NPC1
SCHEMBL2559959 0.85 POLB (0.58) POLBSYKSMN1; SMN2ALDH1A1NPC1
SCHEMBL13855801 0.83 POLB (0.59) POLBSYKSMN1; SMN2ALDH1A1NPC1
SCHEMBL13963827 0.83 SYK (0.71) POLBSYKSMN1; SMN2ALDH1A1NPC1
SCHEMBL14577974 0.83 POLB (0.59) POLBSYKSMN1; SMN2ALDH1A1NPC1
SCHEMBL13398614 0.83 POLB (0.59) POLBSYKSMN1; SMN2ALDH1A1NPC1
SCHEMBL12409038 0.83 SYK (0.71) POLBSYKSMN1; SMN2ALDH1A1NPC1
SCHEMBL3822218 0.82 KDM4E (0.58) POLBSMN1; SMN2ALDH1A1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A POLB 2203/4885SYK 495/4885SMN1; SMN2 4764/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A POLB 2203/4885SYK 495/4885SMN1; SMN2 4764/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A POLB 2203/4885SYK 495/4885SMN1; SMN2 4764/4885

“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.