SCHEMBL6320030

SCHEMBL6320030

CCCP(=O)(CCC)C1(c2cc3ccc(OC)cc3s2)CCCCC1Nc1cnc(C)cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ABL1 P00519 2/20 0.34
CHRNA7 P36544 4/20 0.33
HPGDS O60760 3/20 0.33
ITK Q08881 1/20 0.33
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PRKDC P78527 3/20 0.32
PIK3CA P42336 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KLF5 Q13887 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6317095 0.63 NPC1 (0.35) MAOAMAOBCHRNA7ITKMAPT
SCHEMBL8597630 0.61 MAPT (0.45) MAOAMAOBCHRNA7MAPTNPC1
SCHEMBL6318633 0.61 MAPT (0.34) ABL1CHRNA7HPGDSMAPTNPC1
SCHEMBL8600809 0.61 CA2 (0.44) MAOAMAOBCHRNA7MAPTNPC1
SCHEMBL4444185 0.60 CA2 (0.43) MAOAMAOBCHRNA7MAPTNPC1
SCHEMBL8600765 0.60 CA2 (0.43) MAOAMAOBCHRNA7MAPTNPC1
SCHEMBL8596068 0.60 CA2 (0.43) MAOAMAOBCHRNA7MAPTNPC1
SCHEMBL8599290 0.58 CHRNA7 (0.42) MAOAMAOBABL1CHRNA7HPGDS
SCHEMBL4450281 0.57 CA2 (0.48) MAOAMAOBCHRNA7ITKMAPT
SCHEMBL8598275 0.57 CHRNA7 (0.39) MAOAMAOBCHRNA7HPGDSITK

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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels QUATRX PHARMACEUTICALS CO. 2005-06-30 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-20050143349-A1 Phosphorus containing compounds useful for the regulation of LDL and Lp(a) levels APOB, LDLR, LPL MAOA 1895/4885MAOB 1230/4885ABL1 3173/4885

“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.