SCHEMBL10199892

SCHEMBL10199892

CCc1cc(C)cc(C)c1C1C(=O)[C@H]2CCCC[C@H]2C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX12 P18054 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL10199781 1.00 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2KMT2AALDH1A1
SCHEMBL2685999 0.92 LMNA (0.33) KMT2AMAPK1SMN1; SMN2NPSR1KDM4E
SCHEMBL13255675 0.92 LMNA (0.33) KMT2AMAPK1SMN1; SMN2NPSR1KDM4E
SCHEMBL2729544 0.76 TSHR (0.31)
SCHEMBL16994203 0.74
SCHEMBL10127398 0.74
SCHEMBL3603694 0.74 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL4764808 0.73
SCHEMBL15839586 0.72 KDM4E (0.30) MAPK1SMN1; SMN2KDM4ELMNATP53
SCHEMBL447364 0.72 NOS3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168832-B2 2,4,6-trialkylphenyl substituted cyclopentane-1,3-dione BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-8168832-B2 2,4,6-trialkylphenyl substituted cyclopentane-1,3-dione BAYER CROPSCIENCE AG (DE) 2012-05-01 US disclosed
US-20090137393-A1 2,4,6-TRIALKYLPHENYL SUBSTITUTED CYCLOPENTANE-1,3-DIONE BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090137393-A1 2,4,6-TRIALKYLPHENYL SUBSTITUTED CYCLOPENTANE-1,3-DIONE BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
WO-2007080066-A2 2,4,6-TRIALKYLPHENYL SUBSTITUTED CYCLOPENTANE-1,3-DIONE BAYER CROPSCIENCE AG (DE) 2007-07-19 WO 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-20090137393-A1 2,4,6-TRIALKYLPHENYL SUBSTITUTED CYCLOPENTANE-1,3-DIONE DDT, CYP1B1, CNPY2 TAS1R3 2080/4885TAS1R1 2183/4885TAS1R2 2048/4885

“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.