SCHEMBL2009221

SCHEMBL2009221

COc1c(C(=O)OCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL6276517 0.88 ALDH1A1 (0.52) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL2014208 0.87 TSHR (0.60) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL2706463 0.85 ALDH1A1 (0.61) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL5427764 0.84 ALDH1A1 (0.53) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL5864165 0.84 KMT2A (0.51) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL19451176 0.83 ALDH1A1 (0.55) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL17673145 0.83 ALDH1A1 (0.44) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL16040428 0.82 MEN1 (0.57) ALDH1A1KMT2AMEN1TSHRCYP3A4
SCHEMBL2005800 0.82 RAB9A (0.59) ALDH1A1TDP1RAB9AKMT2AMEN1
SCHEMBL12569605 0.82 ALDH1A1 (0.54) ALDH1A1TDP1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864976-B1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-10-10 EP disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR ALDH1A1 2646/4885TDP1 3230/4885RAB9A 3515/4885

“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.