SCHEMBL2949035

SCHEMBL2949035

C=Cc1cccc(C(=O)OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CFTR P13569 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 6/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 3/20 0.42
NFE2L2 Q16236 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
KMT2A Q03164 2/20 0.40
BACE1 P56817 1/20 0.40
CA9 Q16790 2/20 0.39
CA5A P35218 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4215159 0.85 CA1 (0.59) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL16955095 0.85 LMNA (0.46) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL5468604 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL2409607 0.84 CA1 (0.37) LMNAALDH1A1HSD17B10KDM4EGAA
SCHEMBL16953536 0.84 LMNA (0.40) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL61520 0.82 TSHR (0.55) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL3511611 0.82 TSHR (0.57) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL16958924 0.81 ALDH1A1 (0.48) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL5198420 0.81 KDM4E (0.57) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL8074147 0.81 CA1 (0.48) LMNATSHRALDH1A1CFTRHSD17B10

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
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 LMNA 1918/4885TSHR 169/4885ALDH1A1 719/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR LMNA 2490/4885TSHR 156/4885ALDH1A1 1046/4885

“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.