SCHEMBL823041

SCHEMBL823041

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1C1=C(OC(=O)OC(C)C)C2(CCC(C3CO3)CC2)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 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
SCHEMBL13359403 0.87 MMP1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL812008 0.86 ACACB (0.30) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL14066570 0.79 PTGS2 (0.31) ALDH1A1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL13963622 0.71 ACACB (0.33)
SCHEMBL811977 0.69 ACACB (0.44)
SCHEMBL812037 0.69 PGR (0.34) ALDH1A1
SCHEMBL782350 0.68 MEN1 (0.31)
SCHEMBL14066725 0.68 MAPT (0.32) ALDH1A1
SCHEMBL9290061 0.66 ACACB (0.37)
SCHEMBL782286 0.65 KMT2A (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 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 (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-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 ALDH1A1 2569/4885CYP1A2 26/4885CYP3A4 164/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 ALDH1A1 2569/4885CYP1A2 26/4885CYP3A4 164/4885

“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.