SCHEMBL2946918

SCHEMBL2946918

CC1(C)OC[C@@H](c2cccc(C(=O)CC(=O)c3cccnc3)c2F)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.43
PLOD3 O60568 2/20 0.40
PLOD1 Q02809 2/20 0.40
TBXAS1 P24557 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 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
SCHEMBL2945549 0.82 TBXAS1 (0.35) PLOD2PLOD3PLOD1TBXAS1HCRTR1
SCHEMBL2945437 0.81 TBXAS1 (0.33) TBXAS1HCRTR1HCRTR2POLB
SCHEMBL2947113 0.76 HCRTR2 (0.37) HCRTR1HCRTR2
SCHEMBL22071102 0.75 DRD2 (0.37) HCRTR1HCRTR2MAPTPOLBTSHR
SCHEMBL2946311 0.73 TSHR (0.42) MAPTPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL2947255 0.73 TSHR (0.42) MAPTPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL22070983 0.68 HCRTR2 (0.33) HCRTR1HCRTR2CACNA1GCACNA1HCACNA1I
SCHEMBL29554726 0.67 PLOD2 (0.89) PLOD2PLOD3PLOD1MAPTALDH1A1
SCHEMBL10320930 0.67 PLOD2 (0.89) PLOD2PLOD3PLOD1MAPTALDH1A1
SCHEMBL21958046 0.66 CYP2C9 (0.43) HCRTR1HCRTR2ALDH1A1

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 PLOD2 1118/4885PLOD3 1521/4885PLOD1 964/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR PLOD2 1792/4885PLOD3 1950/4885PLOD1 1588/4885

“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.