SCHEMBL4546201

SCHEMBL4546201

CCOC(=O)OC1=C(c2c(C)cc(-c3ccc(Cl)cc3)cc2CC)C(=O)NC1(C)COC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
ACACA Q13085 5/20 0.39
ALPL P05186 1/20 0.32
ABCC1 P33527 1/20 0.31
ALDH1A1 P00352 5/20 0.31
KDM4E B2RXH2 4/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 5/20 0.31
MAPT P10636 4/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 3/20 0.31
FPR1 P21462 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PTGES O14684 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
SCHEMBL4546199 0.92 ACACB (0.39) ACACBACACAALDH1A1LMNAMAPT
SCHEMBL4546200 0.85 ACACB (0.46) ACACBACACA
SCHEMBL4549944 0.83 ACACB (0.35) ACACBACACAALPLABCC1ALDH1A1
SCHEMBL12137074 0.83
SCHEMBL10278965 0.82 ACACB (0.41) ACACBACACARAB9ATDP1
SCHEMBL811909 0.81 ACACB (0.38) ACACBACACAALPLABCC1ALDH1A1
SCHEMBL4546191 0.81 ACACB (0.41) ACACBACACA
SCHEMBL4546188 0.79 ACACB (0.33) ACACBACACAALPLALDH1A1KDM4E
SCHEMBL4546185 0.77 ACACB (0.50) ACACBACACA
SCHEMBL2759798 0.76 ACACB (0.42) ACACBACACAALDH1A1KDM4ELMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173697-B2 Alkoxyalkyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2012-05-08 US disclosed
US-8173697-B2 Alkoxyalkyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2012-05-08 US disclosed
US-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols BAYER CROPSCIENCE AG (DE) 2009-12-03 US disclosed
US-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols BAYER CROPSCIENCE AG (DE) 2009-12-03 US disclosed
WO-2007140881-A1 ALKOXYALKYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER CROPSCIENCE AG (DE) 2007-12-13 WO 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 (1 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-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols DDT, AKR1D1, EBP ACACB 249/4885ACACA 529/4885ALPL 660/4885

“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.