SCHEMBL462735

SCHEMBL462735

COc1cc(C(C)O)ccc1OCCCOS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.45
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 2/20 0.40
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ADRB1 P08588 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
MCHR1 Q99705 2/20 0.39

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
SCHEMBL15124853 0.90 FDPS (0.44) FDPSMAPTALDH1A1LMNAGAA
SCHEMBL15124728 0.84 FDPS (0.50) FDPSTDP1NPSR1CYP2C9SMN1; SMN2
SCHEMBL458398 0.79 HTT (0.49) GAAADRB2DRD2DRD1DRD4
SCHEMBL460351 0.79 CYP2C9 (0.62) FDPSMAPTALDH1A1LMNANPC1
SCHEMBL7336440 0.76 PPARG (0.46) FDPSMAPTALDH1A1LMNANPSR1
SCHEMBL12016738 0.76 FDPS (0.54) FDPSMAPTLMNATDP1SMN1; SMN2
SCHEMBL1766008 0.76 FDPS (0.54) FDPSMAPTALDH1A1TDP1NPC1
SCHEMBL462345 0.74 FDPS (0.55) FDPSMAPTALDH1A1LMNATDP1
SCHEMBL14778910 0.71 PARL (0.47) MAPTALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL24812331 0.71 FDPS (0.49) FDPSTDP1NPSR1CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000221-B2 Processes for the preparation of 4′-[3-[4-(6-Fluoro-1 ,2-benzisoxazol-3-yl)piperidino]propoxy]-3′-methoxyacetophenone and intermediates thereof SYMED LABS LIMITED (IN) 2015-04-07 US disclosed
US-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-07-25 US disclosed
WO-2012032532-A1 \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ SYMED LABS LIMITED (IN) 2012-03-15 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-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF CYP4B1, CYP4X1, CYP3A4 FDPS 168/4885MAPT 3833/4885ALDH1A1 33/4885

“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.