SCHEMBL2819446

SCHEMBL2819446

CCCC(=O)CC1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.40
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 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
SCHEMBL13545147 0.85 PTGS1 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL3470155 0.83 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9816728 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL28480844 0.77 PTGS2 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL1397437 0.77 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL1918364 0.75 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL1254599 0.74 CYP2D6 (0.49) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL12424205 0.74 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL3265864 0.74 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23352536 0.73 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247593-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL PREPARATIONS DICOTYLEDON AB (SE) 2010-09-30 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 (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-20100247593-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL PREPARATIONS PDE4B, ACHE, PDE5A NPC1 3274/4885RAB9A 291/4885SMN1; SMN2 3067/4885

“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.