SCHEMBL812202

SCHEMBL812202

Cc1cc(-c2ccccc2)cc(C)c1C1=C(O)C(C)(C)SC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ESR2 Q92731 2/20 0.33
TYMS P04818 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ESR1 P03372 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PTGS2 P35354 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
DUSP3 P51452 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL12101809 0.78 HDAC4 (0.36) BRD4HDAC4HDAC2HDAC8ESR2
SCHEMBL12101783 0.74 ALDH1A1 (0.36) BRD4HDAC4HDAC2HDAC8ESR2
SCHEMBL12101720 0.70 MAOA (0.32) BRD4ALDH1A1MAPTDUSP3
SCHEMBL12101725 0.69 MAOA (0.33) BRD4TYMSALDH1A1MAPTDUSP3
SCHEMBL812209 0.69 ACACB (0.39) BRD4ALDH1A1KMT2A
Phenol SCHEMBL28113826 0.67 MMP3 (0.50) ESR2PPARGPPARAESR1HPGD
SCHEMBL18874331 0.66 ERAP1 (0.40) BRD4ESR2ESR1NPC1HPGD
SCHEMBL411275 0.65 CA1 (0.70) BRD4ESR2ALDH1A1PTGS2DUSP3
SCHEMBL12115775 0.65 BRD4 (0.34) BRD4HDAC4HDAC2HDAC8ESR2
SCHEMBL14432138 0.65 ESR1 (0.31) ESR2ESR1

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 9 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-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 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
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 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 BRD4 2425/4885HDAC4 2752/4885HDAC2 2745/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 BRD4 2425/4885HDAC4 2752/4885HDAC2 2745/4885

“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.