SCHEMBL2947192

SCHEMBL2947192

CC=Cc1cccc(C(=O)OC(C)(C)C)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
AR P10275 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRA6 Q16445 2/20 0.32
PTGS2 P35354 1/20 0.32
CES2 O00748 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
MAOB P27338 2/20 0.32
SLC7A5 Q01650 1/20 0.32
HTT P42858 3/20 0.31
LMNA P02545 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL2947188 1.00 ADRA1A (0.33) ADRA1AADRA1BARGABRA1GABRG2
SCHEMBL2947290 0.85 ERN1 (0.39) ADRA1AADRA1BARCES2BCHE
SCHEMBL27656832 0.84 MAPT (0.33) ADRA1AADRA1BARCES2BCHE
SCHEMBL2944140 0.78 ALB (0.43) PTGS2CES2BCHECES1HTT
SCHEMBL1536427 0.78 ALB (0.43) PTGS2CES2BCHECES1HTT
SCHEMBL27864444 0.78 CES2 (0.55) ADRA1AADRA1BARCES2BCHE
SCHEMBL31588084 0.76 LMNA (0.42) ADRA1AADRA1BCES2BCHECES1
SCHEMBL15000505 0.76 KAT6A (0.41) ADRA1AADRA1BARCES2BCHE
Hydrochloric Acid SCHEMBL28306201 0.76 CES2 (0.53) ADRA1AADRA1BARCES2BCHE
SCHEMBL23971379 0.76 BACE1 (0.34) ADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 US disclosed
US-7709519-B2 Benzimidazolylidene propane-1,3 dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-05-04 US disclosed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 EP disclosed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 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-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof GPER1, GNRHR, AR ADRA1A 131/4885ADRA1B 215/4885AR 3/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR ADRA1A 266/4885ADRA1B 376/4885AR 3/4885

“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.