SCHEMBL812146

SCHEMBL812146

Cc1ccc(-c2cc(C)c(C3=C(OS(C)(=O)=O)C4(CCCCC4)NC3=O)c(C)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
NEK2 P51955 2/20 0.33
ACACB O00763 7/20 0.33
ACACA Q13085 7/20 0.33
KMT2A Q03164 3/20 0.33
PTGS2 P35354 1/20 0.32
PDE7A Q13946 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
BRD4 O60885 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13527233 0.86 KMT2A (0.30) KMT2APDE7A
SCHEMBL9883904 0.83 HTR2A (0.33) KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10309282 0.82 HTR2A (0.34)
SCHEMBL12029771 0.82 POLB (0.33) POLBACACBACACAPTGS2
SCHEMBL13288547 0.81 KMT2A (0.37) KMT2APDE7ARAB9ANPC1
SCHEMBL812234 0.79 ACACB (0.45) POLBACACBACACAKMT2APDE7A
SCHEMBL12245322 0.78 ALDH1A1 (0.31) POLBKMT2A
SCHEMBL12702912 0.78 PDE7A (0.35) ACACBACACAKMT2APDE7ASMN1; SMN2
SCHEMBL14395168 0.77
SCHEMBL13117853 0.76 ACACB (0.41) 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 6 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-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-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 POLB 2662/4885NEK2 2613/4885ACACB 971/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 POLB 2662/4885NEK2 2613/4885ACACB 971/4885

“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.