SCHEMBL19602124

SCHEMBL19602124

Cc1cc(C)c(SCC(F)(F)F)cc1NC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.39
MDM4 O15151 2/20 0.37
TP53 P04637 2/20 0.37
MDM2 Q00987 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MLYCD O95822 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
GSK3B P49841 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL19602126 0.90 CETP (0.38) CETPMDM4TP53MDM2GAA
SCHEMBL17811974 0.85 ESR1 (0.40) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19602125 0.80 MLYCD (0.46) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15072266 0.80 ALDH1A1 (0.40) GAAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL19601469 0.79
SCHEMBL16830412 0.77 MAPT (0.31) MAPT
SCHEMBL16830414 0.77 MAPT (0.31) MAPT
SCHEMBL17812975 0.76 ESR1 (0.33)
SCHEMBL16830426 0.76 MAPK14 (0.31) ALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL16830425 0.76 MAPK14 (0.31) ALDH1A1SMN1; SMN2HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227274-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2019-07-03 EP disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 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-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 CETP 4177/4885MDM4 4494/4885TP53 3858/4885

“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.