SCHEMBL4772607

SCHEMBL4772607

CC(CCCCOC(=O)c1cc2ccccc2o1)=C(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
MAPK1 P28482 2/20 0.62
HRH3 Q9Y5N1 3/20 0.57
MAPT P10636 8/20 0.52
TSHR P16473 1/20 0.52
DRD3 P35462 1/20 0.52
HTT P42858 1/20 0.51
KDM4E B2RXH2 3/20 0.51
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL5935792 0.81 MAPK1 (0.69) HSD17B10MAPK1HRH3MAPTTSHR
SCHEMBL28462250 0.81 HSD17B10 (0.72) HSD17B10MAPK1HRH3MAPTTSHR
SCHEMBL4763554 0.76 ALDH1A1 (0.49) HSD17B10MAPTTSHRHTTKDM4E
SCHEMBL13609782 0.75 MAPK1 (0.60) HSD17B10MAPK1HRH3MAPTTSHR
SCHEMBL2775850 0.75 MAPT (0.67) HSD17B10MAPK1HRH3MAPTTSHR
SCHEMBL29502855 0.75 MAPT (0.67) HSD17B10MAPK1HRH3MAPTTSHR
SCHEMBL6341170 0.74 MAPK1 (0.62) HSD17B10MAPK1HRH3MAPTTSHR
SCHEMBL4770653 0.74 HIF1A (0.41) HSD17B10MAPK1TDP1HPGD
SCHEMBL4765627 0.74 KDM4E (0.49) HSD17B10MAPK1HRH3MAPTDRD3
SCHEMBL4769039 0.74 HDAC3 (0.47) MAPTDRD3KDM4EHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM HSD17B10 3616/4885MAPK1 1705/4885HRH3 4312/4885

“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.