SCHEMBL2947113

SCHEMBL2947113

CC1(C)OCC(c2cccc(C(=O)O)c2F)O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.37
HCRTR1 O43613 10/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
NOTUM Q6P988 1/20 0.35
ALB P02768 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL21958046 0.86 CYP2C9 (0.43) HCRTR2HCRTR1TMEM97SIGMAR1CA12
SCHEMBL22071102 0.86 DRD2 (0.37) HCRTR2HCRTR1L3MBTL1
SCHEMBL2947255 0.83 TSHR (0.42) CA1CA2CYP2C9L3MBTL1
SCHEMBL2946311 0.83 TSHR (0.42) CA1CA2CYP2C9L3MBTL1
SCHEMBL2939462 0.77 HTR1A (0.35) HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL22070983 0.77 HCRTR2 (0.33) HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL2949836 0.77 ERN1 (0.35) HCRTR2HCRTR1
SCHEMBL2946834 0.77 ERN1 (0.35) HCRTR2HCRTR1
SCHEMBL2946918 0.76 PLOD2 (0.43) HCRTR2HCRTR1
SCHEMBL22499461 0.75 SMN1; SMN2 (0.38)

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 7 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
CN-1964950-A Propane-1,3-dione derivative or its salt ASTELLAS PHARMA INC (JP) 2007-05-16 CN 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 HCRTR2 1367/4885HCRTR1 1085/4885TMEM97 712/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR HCRTR2 1305/4885HCRTR1 1145/4885TMEM97 880/4885

“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.