SCHEMBL1766008

SCHEMBL1766008

COc1cc(C(C)O)ccc1OCCCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.54
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PRSS1 P07477 4/20 0.44
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 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
SCHEMBL12016738 0.88 FDPS (0.54) FDPSPPARGPPARDPPARAPOLB
SCHEMBL462345 0.86 FDPS (0.55) FDPSPPARGPPARDPPARAPOLB
SCHEMBL10007596 0.84 FDPS (0.50) FDPSPOLBKDM4ETDP1PRSS1
SCHEMBL1546004 0.83 TUBB4A (0.39) POLBKDM4ETDP1CYP2C19KMT2A
SCHEMBL7886610 0.82 FDPS (0.52) FDPSPPARGPPARDPPARAPRSS1
SCHEMBL7436823 0.82 TSHR (0.58) FDPSPPARGPPARDPPARAPOLB
SCHEMBL7333971 0.81 SMPD1 (0.50) FDPSPPARGPPARDPPARASMN1; SMN2
SCHEMBL670305 0.81 PPARG (0.59) FDPSPPARGPPARDPPARACYP2C9
SCHEMBL8238025 0.81 PPARG (0.59) FDPSPPARGPPARDPPARACYP2C9
SCHEMBL16027072 0.81 FDPS (0.48) FDPSPOLBKDM4ETDP1CYP2C9

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 9 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-20130261308-A1 ONE-POT PROCESS FOR THE SYNTHESIS OF ILOPERIDONE PROCOS. S.p.A. (IT) 2013-10-03 US disclosed
US-20130261308-A1 ONE-POT PROCESS FOR THE SYNTHESIS OF ILOPERIDONE PROCOS. S.p.A. (IT) 2013-10-03 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-2011061750-A3 PROCESS FOR THE PREPARATION OF ILOPERIDONE USING A NOVEL INTERMEDIATE SYMED LABS LIMITED (IN) 2012-10-04 WO disclosed
US-20120220776-A1 PROCESS FOR THE PREPARATION OF ILOPERIDONE USING A NOVEL INTERMEDIATE SYMED LABS LIMITED (IN) 2012-08-30 US disclosed
US-20120220776-A1 PROCESS FOR THE PREPARATION OF ILOPERIDONE USING A NOVEL INTERMEDIATE SYMED LABS LIMITED (IN) 2012-08-30 US disclosed
WO-2011061750-A2 PROCESS FOR THE PREPARATION OF ILOPERIDONE USING A NOVEL INTERMEDIATE SYMED LABS LIMITED (IN) 2011-05-26 WO disclosed
WO-2011061750-A2 PROCESS FOR THE PREPARATION OF ILOPERIDONE USING A NOVEL INTERMEDIATE SYMED LABS LIMITED (IN) 2011-05-26 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 (3 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-20120220776-A1 PROCESS FOR THE PREPARATION OF ILOPERIDONE USING A NOVEL INTERMEDIATE CYP2J2, ILF3, ILF2 FDPS 1239/4885PPARG 360/4885PPARD 1804/4885
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 168/4885PPARG 677/4885PPARD 1107/4885
US-20130261308-A1 ONE-POT PROCESS FOR THE SYNTHESIS OF ILOPERIDONE IL2, IL1A, IL4 FDPS 332/4885PPARG 63/4885PPARD 302/4885

“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.