SCHEMBL10199560

SCHEMBL10199560

CCc1cc(C)cc(C)c1C1=C(O)C(C)(C)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARG P37231 1/20 0.33
MAPK10 P53779 1/20 0.33
NCOA2 Q15596 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MCL1 Q07820 1/20 0.30

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
SCHEMBL10199555 0.76 ELANE (0.33) ALDH1A1
SCHEMBL14473453 0.76
SCHEMBL10199553 0.73 GLA (0.35) TSHRHTTGAA
SCHEMBL10079472 0.73 TSHR (0.33) TSHR
SCHEMBL13168013 0.72 KMT2A (0.32)
SCHEMBL13168025 0.71 KMT2A (0.31) TSHR
SCHEMBL13168029 0.71 KMT2A (0.32) ALDH1A1
SCHEMBL10199618 0.70 POLB (0.37) TSHRALDH1A1
SCHEMBL13168016 0.70 KMT2A (0.31)
SCHEMBL13288535 0.69 KMT2A (0.41)

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 TSHR 2195/4885HTT 800/4885ALDH1A1 1304/4885

“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.