SCHEMBL4549944

SCHEMBL4549944

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.35
ACACA Q13085 7/20 0.35
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 2/20 0.32
ALPL P05186 1/20 0.31
POLB P06746 2/20 0.31
TSHR P16473 2/20 0.31
PDK2 Q15119 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCC1 P33527 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 2/20 0.30
HPGD P15428 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
SCHEMBL12136947 0.90 ABCB1 (0.32)
SCHEMBL4546188 0.89 ACACB (0.33) ACACBACACAKDM4EALDH1A1ALPL
SCHEMBL4549943 0.84 ACACB (0.43) ACACBACACAPOLBTSHRCYP3A4
SCHEMBL4546201 0.83 ACACB (0.39) ACACBACACAKDM4EALDH1A1ALPL
SCHEMBL811909 0.81 ACACB (0.38) ACACBACACAKDM4EALDH1A1ALPL
SCHEMBL4546199 0.75 ACACB (0.39) ACACBACACAALDH1A1MAPTLMNA
SCHEMBL4546182 0.74 ACACB (0.35) ACACBACACARAB9A
SCHEMBL10278965 0.74 ACACB (0.41) ACACBACACARAB9A
SCHEMBL2759798 0.73 ACACB (0.42) ACACBACACAKDM4EALDH1A1TSHR
SCHEMBL4546191 0.73 ACACB (0.41) 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 529/4885KDM4E 77/4885

“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.