SCHEMBL6794871

SCHEMBL6794871

CCCC(=O)Oc1ccc(CCC)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.45
ALPG P10696 1/20 0.45
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8383426 0.89 ALOX15 (0.50) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL3608630 0.87 ALOX15 (0.48) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL6742480 0.87 ALOX15 (0.48) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL10804019 0.86 ALOX15 (0.47) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL27768435 0.83 BCL9 (0.62) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL10808810 0.82 BCL9 (0.50) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL5917477 0.82 BCL9 (0.50) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL5917466 0.82 BCL9 (0.50) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL10805882 0.81 BCL9 (0.49) ALOX15BCL9CTNNB1ALDH1A1MAPT
SCHEMBL5917468 0.81 BCL9 (0.49) ALOX15BCL9CTNNB1ALDH1A1MAPT

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-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ALOX15 622/4885BCL9 1071/4885CTNNB1 3295/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ALOX15 327/4885BCL9 4087/4885CTNNB1 4610/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ALOX15 598/4885BCL9 1143/4885CTNNB1 3174/4885

“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.