SCHEMBL446074

SCHEMBL446074

CCOC(=O)C(C(=O)OCC)C1(Cc2ccc(Br)cc2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
FPR2 P25090 3/20 0.37
PROKR1 Q8TCW9 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
S1PR4 O95977 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL446219 0.88 FPR2 (0.39) FPR2PROKR1MAPK1SMN1; SMN2NPSR1
SCHEMBL446627 0.82 MME (0.39) L3MBTL1MMEKMT2AMEN1LMNA
SCHEMBL16111262 0.72 LMNA (0.50) L3MBTL1MAPK1NPSR1KMT2AMEN1
SCHEMBL2761098 0.71 FPR2 (0.57) L3MBTL1FPR2PROKR1MAPK1SMN1; SMN2
SCHEMBL2324751 0.70 OPRM1 (0.52) LMNATSHRPOLBALDH1A1CYP2C9
SCHEMBL447379 0.69 MME (0.45) MAPK1SMN1; SMN2MME
SCHEMBL4716099 0.69 FPR2 (0.55) FPR2PROKR1SMN1; SMN2KMT2AMEN1
SCHEMBL28840734 0.69 FPR2 (0.55) FPR2PROKR1SMN1; SMN2KMT2AMEN1
SCHEMBL24933197 0.68 GRIN2D (0.46) L3MBTL1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL26931966 0.68 ALDH1A1 (0.44) L3MBTL1NPSR1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 L3MBTL1 4213/4885FPR2 2561/4885PROKR1 2003/4885

“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.