SCHEMBL17023445

SCHEMBL17023445

CC(=O)c1cc(F)[c]c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.48
LMNA P02545 2/20 0.40
KIF11 P52732 1/20 0.35
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP2A6 P11509 1/20 0.33
HSD17B1 P14061 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 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
SCHEMBL5963520 0.77 HCAR1 (0.48) CA5ALMNAMAPTHPGDKMT2A
SCHEMBL669554 0.74 CA5A (0.67) CA5ALMNAMAPTHPGDRAB9A
SCHEMBL319123 0.74 CES2 (0.62) CA5ALMNAKIF11MAPTHPGD
SCHEMBL18862523 0.73 CA5A (0.46) CA5ALMNAKIF11RAB9ASMN1; SMN2
SCHEMBL3391247 0.73 ALDH1A1 (0.41) CA5AMAPTHPGDRAB9AKMT2A
SCHEMBL823677 0.72 CES2 (0.64) CA5ALMNAKIF11RAB9ASMN1; SMN2
SCHEMBL2088791 0.72 CA5A (0.50) CA5ALMNAMAPTHPGDRAB9A
SCHEMBL1637909 0.72 CA5A (0.50) CA5ALMNAMAPTHPGDRAB9A
SCHEMBL4927453 0.72 CA5A (0.35) CA5ALMNAKIF11KMT2ASMN1; SMN2
SCHEMBL7307019 0.70 CA5A (0.55) CA5ALMNAMAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108477173-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-07-02 CN disclosed
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
US-9802899-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-26 US disclosed
EP-2903440-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLING AGENTS BAYER CROPSCIENCE AG (DE) 2017-09-06 EP disclosed
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-08-27 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 (3 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-10435374-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CA5A 1027/4885LMNA 1612/4885KIF11 4451/4885
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CA5A 1027/4885LMNA 1612/4885KIF11 4451/4885
US-20150239847-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CA5A 1027/4885LMNA 1612/4885KIF11 4451/4885

“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.