SCHEMBL1007046

SCHEMBL1007046

OCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SIGMAR1 Q99720 9/20 0.58
MAOA P21397 1/20 0.56
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
MAOB P27338 2/20 0.54
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL405974 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL1006938 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL14850009 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL538370 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL1006123 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL1006585 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL1006479 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL1005849 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL1006372 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA
SCHEMBL95368 1.00 TDP1 (0.64) TDP1MAPTRXFP1SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 TDP1 3438/4885MAPT 4277/4885RXFP1 134/4885

“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.