SCHEMBL959865

SCHEMBL959865

CCCCCC(C)(O)CCS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
MAPT P10636 7/20 0.52
LMNA P02545 5/20 0.52
TP53 P04637 5/20 0.52
HTT P42858 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
MAPK1 P28482 1/20 0.48
PTPRB P23467 1/20 0.46
GFER P55789 1/20 0.38
HSD11B1 P28845 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL31117350 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNATP53HTT
SCHEMBL963107 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNATP53HTT
SCHEMBL17511740 0.84 ALDH1A1 (0.63) ALDH1A1MAPTLMNATP53HTT
SCHEMBL1980247 0.83 ALDH1A1 (0.61) ALDH1A1MAPTLMNATP53HTT
SCHEMBL16218976 0.83 ALDH1A1 (0.61) ALDH1A1MAPTLMNATP53HTT
SCHEMBL28102527 0.83 ALDH1A1 (0.61) ALDH1A1MAPTLMNATP53HTT
SCHEMBL2966537 0.83 ALDH1A1 (0.64) ALDH1A1MAPTLMNATP53HTT
SCHEMBL31117332 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNATP53HTT
SCHEMBL1286395 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNATP53HTT
SCHEMBL1576966 0.81 ALDH1A1 (0.51) ALDH1A1MAPTLMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501793-B2 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
US-7833995-B2 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20070129327-A1 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1707208-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-04 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 (2 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-20070129327-A1 Blood flow promoters for cauda equina tissues PTGFR, PTGIS, PTGIR ALDH1A1 427/4885MAPT 3722/4885LMNA 1814/4885
US-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES PTGFR, PTGIS, PTGIR ALDH1A1 427/4885MAPT 3722/4885LMNA 1814/4885

“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.