SCHEMBL811969

SCHEMBL811969

COC(=O)C1(NC(=O)Cc2c(C)cc(-c3ccc(Cl)cc3)cc2C)CCCC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LPAR1 Q92633 1/20 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
SCHEMBL8907276 0.86 MAPT (0.34) LMNAHPGDMAPTNPSR1ALDH1A1
SCHEMBL7960135 0.84 HPGD (0.34) LMNAHPGDMAPTALDH1A1L3MBTL1
SCHEMBL8651345 0.83 P2RX7 (0.39) ANO1SHMT1SHMT2LMNAHPGD
SCHEMBL8907230 0.81 KMT2A (0.46) SMN1; SMN2ALDH1A1
SCHEMBL8906817 0.80 KMT2A (0.41) SHMT1SHMT2ALDH1A1L3MBTL1
SCHEMBL7957870 0.79 LPAR1 (0.35) LMNAHPGDMAPTCNR1CNR2
SCHEMBL6476252 0.78 MEN1 (0.42) ANO1LMNAMAPTLPAR1
SCHEMBL8653874 0.77 P2RX7 (0.36) ALDH1A1L3MBTL1LPAR1
SCHEMBL8906878 0.77 POLB (0.37) LMNAHPGDALDH1A1L3MBTL1LPAR1
SCHEMBL6483565 0.77 KMT2A (0.39) LMNASMN1; SMN2ALDH1A1LPAR1

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 SLC6A3 2183/4885CYP11B1 197/4885CYP11B2 155/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 SLC6A3 2183/4885CYP11B1 197/4885CYP11B2 155/4885

“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.