SCHEMBL812153

SCHEMBL812153

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1CC(=O)NC(C)(C#N)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.43
SHMT1 P34896 1/20 0.41
SHMT2 P34897 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 1/20 0.38
LGMN Q99538 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
PLA2G2A P14555 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGS2 P35354 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
SCHEMBL7220666 0.81 L3MBTL1 (0.57) ANO1SHMT1SHMT2ALDH1A1HPGD
SCHEMBL812147 0.79 SHMT1 (0.41) SHMT1SHMT2ALDH1A1LMNAL3MBTL1
SCHEMBL13527326 0.75 SMN1; SMN2 (0.37) ANO1ALDH1A1KDM4EHPGDLMNA
SCHEMBL8102678 0.74 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL8650988 0.72 ANO1 (0.46) ANO1ALDH1A1KDM4EHPGDLMNA
SCHEMBL13359382 0.72 PTGS2 (0.53) ALDH1A1LMNAKMT2AL3MBTL1GAA
SCHEMBL14609698 0.72 ANO1 (0.42) ANO1ALDH1A1KDM4EHPGDLMNA
SCHEMBL8862625 0.72 ANO1 (0.42) ANO1ALDH1A1KDM4EHPGDLMNA
SCHEMBL7214349 0.72 POLB (0.47) ANO1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL812155 0.71 SHMT1 (0.39) SHMT1SHMT2ALDH1A1KDM4EKMT2A

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 8 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-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 ANO1 2558/4885SHMT1 3304/4885SHMT2 2603/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 ANO1 2558/4885SHMT1 3304/4885SHMT2 2603/4885

“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.