SCHEMBL812037

SCHEMBL812037

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1C1=C(OC(=O)C(C)C)C(C)(C)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
PTGS2 P35354 4/20 0.33
PTGS1 P23219 1/20 0.32
MAPT P10636 3/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 2/20 0.31
LTB4R Q15722 1/20 0.31
PTGER4 P35408 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
EDNRA P25101 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
SCHEMBL14066725 0.89 MAPT (0.32) PGRPTGS2MAPTTP53GAA
SCHEMBL812007 0.78 PGR (0.40) PGRPTGS2PTGS1MAPTTP53
SCHEMBL14066570 0.77 PTGS2 (0.31) PTGS2KMT2AALDH1A1ACACBACACA
SCHEMBL13527330 0.74 ALDH1A1 (0.35) PTGS2MAPTTP53KMT2AALDH1A1
SCHEMBL812252 0.72 ACACB (0.43) KMT2ATDP1THRBACACBACACA
SCHEMBL822882 0.72 LMNA (0.33) MAPTTP53GAAKMT2AALDH1A1
SCHEMBL4546199 0.71 ACACB (0.39) MAPTALDH1A1LMNATDP1ACACB
SCHEMBL14066574 0.71 ACACB (0.38) PGRPTGS2PTGS1MAPTTP53
SCHEMBL811947 0.70 RAB9A (0.33) MAPTTP53ALDH1A1LMNATDP1
SCHEMBL12362137 0.70 MAPT (0.31) MAPTTP53ALDH1A1

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 PGR 1538/4885PTGS2 1388/4885PTGS1 1732/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 PGR 1538/4885PTGS2 1388/4885PTGS1 1732/4885

“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.