SCHEMBL10199754

SCHEMBL10199754

CCc1cc(C)cc(C)c1CC(=O)[C@H]1CCCC[C@@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
PEPD P12955 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
EPHX2 P34913 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL8022788 0.90 GAA (0.43) GAAALDH1A1GLAPEPDSMN1; SMN2
SCHEMBL2687043 0.86 TAS1R3 (0.36) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL2685782 0.86 EPHX2 (0.36) GAAALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL12298722 0.86 PTGDR2 (0.36) GAAALDH1A1GLAPEPDSMN1; SMN2
SCHEMBL2685787 0.86 EPHX2 (0.36) GAAALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2685781 0.86 EPHX2 (0.36) GAAALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL10309319 0.86 PTGDR2 (0.36) GAAALDH1A1GLAPEPDSMN1; SMN2
SCHEMBL8017376 0.84 KDM4E (0.39) GAAALDH1A1GLAPEPDKDM4E
SCHEMBL9883934 0.80 GLA (0.46) GAAALDH1A1GLAPEPDSMN1; SMN2
SCHEMBL8022828 0.77 TP53 (0.39) KDM4EMEN1KMT2AEPHX2TAS1R3

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 4 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

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 GAA 1828/4885ALDH1A1 1304/4885GLA 3604/4885

“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.