SCHEMBL2821669

SCHEMBL2821669

CCCCCCOc1c(C=O)cccc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.53
SRC P12931 1/20 0.51
ERN1 O75460 2/20 0.47
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL636327 0.98 NPC1 (0.61) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL636533 0.94 NPC1 (0.62) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL1242931 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2SRCALDH1A1
SCHEMBL28004812 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2SRCALDH1A1
SCHEMBL11439257 0.91 NPC1 (0.52) NPC1RAB9ASMN1; SMN2SRCALDH1A1
SCHEMBL637742 0.91 NPC1 (0.61) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL31612271 0.88 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL31612273 0.88 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL637615 0.85 NPC1 (0.60) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL7775011 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2SRCERN1

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-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US disclosed
EP-2229388-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-09-22 EP disclosed
WO-2009109987-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-09-11 WO 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 (1 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 NPC1 1398/4885RAB9A 1584/4885SMN1; SMN2 4045/4885

“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.