SCHEMBL812209

SCHEMBL812209

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1C1=C(O)C2(CCCCC2)SC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.39
ACACA Q13085 8/20 0.39
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.31
PGR P06401 1/20 0.31
PDE5A O76074 2/20 0.31
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE4D Q08499 2/20 0.31
PDE7A Q13946 2/20 0.31
PDE1C Q14123 2/20 0.31
PDE3A Q14432 2/20 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
SCHEMBL2350066 0.88 ACACB (0.35) ACACBACACAALDH1A1KMT2ABRD4
SCHEMBL2353457 0.85 ACACB (0.52) ACACBACACAPGR
SCHEMBL2353965 0.82 ACACB (0.40) ACACBACACAALDH1A1
SCHEMBL811937 0.80 MEN1 (0.34) ACACBACACAALDH1A1KMT2A
SCHEMBL811962 0.79 ACACB (0.55) ACACBACACAKMT2APDE5APDE1A
SCHEMBL812270 0.78 NPC1 (0.32) ACACBACACAALDH1A1KMT2A
SCHEMBL812271 0.77 ACACB (0.37) ACACBACACAALDH1A1BRD4PGR
SCHEMBL15472969 0.72 ACACB (0.56) ACACBACACA
SCHEMBL2348721 0.70 ACACB (0.55) ACACBACACA
SCHEMBL14017525 0.70 ACACB (0.53) ACACBACACA

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 ACACB 971/4885ACACA 1353/4885ALDH1A1 2569/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 ACACB 971/4885ACACA 1353/4885ALDH1A1 2569/4885

“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.