SCHEMBL8499736

SCHEMBL8499736

[CH2]OCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.52
IDO1 P14902 1/20 0.52
MAOA P21397 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAOB P27338 1/20 0.48
NAAA Q02083 1/20 0.47

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
SCHEMBL8498117 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL8499354 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL2095224 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL8496073 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL8499491 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL8496473 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL8500350 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL8499227 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL2090875 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1
SCHEMBL12982428 1.00 SIGMAR1 (0.52) SIGMAR1IDO1MAOATDP1L3MBTL1

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
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP 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-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR SIGMAR1 2629/4885IDO1 934/4885MAOA 1686/4885

“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.