SCHEMBL2295129

SCHEMBL2295129

C=CCN1C[C@H](c2ccc(F)cc2)OCC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GSK3B P49841 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
DRD3 P35462 1/20 0.33
GAA P10253 1/20 0.33
MAOB P27338 5/20 0.33
CSNK1A1 P48729 1/20 0.32
GSK3A P49840 1/20 0.32

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
SCHEMBL2293784 1.00 FADS1 (0.39) FADS1KDM4EMAPTTDP1ALDH1A1
SCHEMBL4631942 0.91 PRKAB2 (0.35) FADS1KDM4EMAPTTDP1GSK3B
SCHEMBL2297007 0.86 RECQL (0.37) FADS1KDM4ETDP1ALDH1A1HSD17B10
SCHEMBL2297604 0.86 MDM2 (0.41) ALDH1A1HSD17B10GSK3BCYP2D6DRD3
SCHEMBL2296617 0.86 MDM2 (0.41) ALDH1A1HSD17B10GSK3BCYP2D6DRD3
SCHEMBL2296889 0.86 RECQL (0.37) FADS1KDM4ETDP1ALDH1A1HSD17B10
SCHEMBL2297047 0.85 DRD3 (0.43) FADS1MAPTTDP1ALDH1A1HSD17B10
SCHEMBL2295582 0.85 DRD3 (0.43) FADS1MAPTTDP1ALDH1A1HSD17B10
SCHEMBL2295969 0.82 MAPT (0.40) MAPTALDH1A1GSK3BGAA
SCHEMBL2295177 0.82 MAPT (0.40) MAPTALDH1A1GSK3BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 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 (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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 FADS1 3039/4885KDM4E 842/4885MAPT 1/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 FADS1 3039/4885KDM4E 842/4885MAPT 1/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 FADS1 3039/4885KDM4E 842/4885MAPT 1/4885

“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.