SCHEMBL5070844

SCHEMBL5070844

COc1ccc(/C=N/CCc2ccc(O)cc2)cc1OC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.66
TAAR1 Q96RJ0 1/20 0.56
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
BCHE P06276 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CYP1A1 P04798 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL5070845 1.00 SHBG (0.66) SHBGTAAR1CA1CA2BCHE
SCHEMBL19233518 0.86 SHBG (0.78) SHBGTAAR1ALDH1A1SMN1; SMN2CYP1A1
SCHEMBL5377418 0.79 SHBG (0.52) SHBGTAAR1ALDH1A1KMT2AMEN1
SCHEMBL5377420 0.79 SHBG (0.52) SHBGTAAR1ALDH1A1KMT2AMEN1
SCHEMBL31140006 0.78 TAAR1 (0.64) SHBGTAAR1CA1CA2ALDH1A1
SCHEMBL5070825 0.78 TAAR1 (0.64) SHBGTAAR1CA1CA2ALDH1A1
SCHEMBL5070824 0.78 TAAR1 (0.64) SHBGTAAR1CA1CA2ALDH1A1
SCHEMBL7261913 0.78 NFE2L2 (0.51) SHBGCA1CA2NPC1ALDH1A1
SCHEMBL7261917 0.78 NFE2L2 (0.51) SHBGCA1CA2NPC1ALDH1A1
SCHEMBL9590619 0.77 SHBG (0.58) SHBGTAAR1CA1CA2KMT2A

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-7432228-B2 Inhibitor against biosynthesis of abscisic acid RIKEN (JP) 2008-10-07 US disclosed
US-7098365-B2 Abscisic acid biosynthesis inhibitor RIKEN (JP) 2006-08-29 US disclosed
US-20060148650-A1 Inhibitor against biosynthesis of abscisic acid RIKEN (JP) 2006-07-06 US disclosed
US-20050014651-A1 Abscisic acid biosynthesis inhibitor RIKEN (JP) 2005-01-20 US disclosed
EP-1439165-A1 ABSCISIC ACID BIOSYNTHESIS INHIBITOR Riken (JP) 2004-07-21 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-20060148650-A1 Inhibitor against biosynthesis of abscisic acid COASY, BLVRB, ME1 SHBG 2747/4885TAAR1 2570/4885CA1 3294/4885
US-20050014651-A1 Abscisic acid biosynthesis inhibitor COASY, BLVRB, ME1 SHBG 2770/4885TAAR1 2252/4885CA1 2434/4885

“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.