SCHEMBL4546188

SCHEMBL4546188

CCOC(=O)OC1=C(c2c(C)cc(-c3ccc(Cl)cc3)cc2Cl)C(=O)NC1(C)CCCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.33
ACACA Q13085 4/20 0.33
LMNA P02545 3/20 0.32
ALPL P05186 1/20 0.31
PDK2 Q15119 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
KDM4E B2RXH2 4/20 0.30
MEN1 O00255 3/20 0.30
MAPT P10636 3/20 0.30
KMT2A Q03164 3/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30
FPR1 P21462 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CHRNA7 P36544 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
SCHEMBL4549944 0.89 ACACB (0.35) ACACBACACALMNAALPLPDK2
SCHEMBL4546184 0.83 ACACB (0.39) ACACBACACA
SCHEMBL811909 0.81 ACACB (0.38) ACACBACACALMNAALPLRAB9A
SCHEMBL4546201 0.79 ACACB (0.39) ACACBACACALMNAALPLRAB9A
SCHEMBL12136947 0.78 ABCB1 (0.32)
SCHEMBL4546182 0.78 ACACB (0.35) ACACBACACARAB9ATDP1
SCHEMBL4549943 0.72 ACACB (0.43) ACACBACACAPOLBTSHR
SCHEMBL2759798 0.71 ACACB (0.42) ACACBACACALMNARAB9AKDM4E
SCHEMBL4546199 0.71 ACACB (0.39) ACACBACACALMNAMAPTALDH1A1
SCHEMBL4546186 0.71 ACACB (0.42) ACACBACACA

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 2 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-20090298828-A1 Alkoxyalkyl-Substituted Cyclic Keto-Enols BAYER CROPSCIENCE AG (DE) 2009-12-03 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 (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 529/4885LMNA 3539/4885

“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.