SCHEMBL1006131

SCHEMBL1006131

[O]CCCCCCCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
SIGMAR1 Q99720 9/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 2/20 0.54
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
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
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 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
SCHEMBL1006398 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL95367 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL999365 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006411 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006936 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006371 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL94958 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1006478 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL999810 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL1008972 1.00 MAPT (0.59) MAPTRXFP1SIGMAR1MAOAMAOB

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-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

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 MAPT 4277/4885RXFP1 134/4885SIGMAR1 2078/4885

“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.