SCHEMBL811946

SCHEMBL811946

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1-c1c(O)c2c(oc1=O)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
GAA P10253 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL11480482 0.72 POLB (0.39) GAAKMT2ACYP1A2CYP2C19POLB
SCHEMBL11478385 0.71 SMN1; SMN2 (0.50) GAAMAPTCYP1A2CYP2C19POLB
SCHEMBL8476247 0.70 CSNK2A2 (0.46) GAATP53MAPTCSNK2A2CSNK2B
SCHEMBL7219386 0.70 MAPT (0.46) GAATP53MAPTCSNK2A2CSNK2B
SCHEMBL7381407 0.70 SMN1; SMN2 (0.49) GAAMAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL812046 0.69 NPC1 (0.41) GAAKMT2ACYP1A2CYP2C19POLB
SCHEMBL812011 0.63 ACACB (0.38) BRD4TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL812007 0.62 PGR (0.40) GAATP53MAPTCSNK2A2CSNK2B
SCHEMBL812271 0.62 ACACB (0.37) BRD4ALDH1A1HSD17B10USP2
SCHEMBL812275 0.62 ALDH1A1 (0.47) TP53MAPTKMT2ATDP1L3MBTL1

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 10 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-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 2425/4885GAA 1025/4885TP53 3088/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 BRD4 2425/4885GAA 1025/4885TP53 3088/4885

“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.