SCHEMBL4771335

SCHEMBL4771335

CC(CCCCOC(=O)c1ccc[nH]1)=C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.44
MMP12 P39900 4/20 0.43
MMP9 P14780 3/20 0.43
MMP1 P03956 3/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4771337 0.90 RAB9A (0.44) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL28002724 0.80 MMP2 (0.65) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL10363084 0.79 RAB9A (0.46) MMP2RAB9ANPC1MEN1KMT2A
SCHEMBL4366142 0.78 MMP2 (0.58) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL29020282 0.76 RAB9A (0.49) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL4765627 0.76 KDM4E (0.49) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL28716266 0.76 MMP2 (0.49) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL21104427 0.75 RAB9A (0.43) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL21104219 0.75 RAB9A (0.43) MMP2MMP12MMP9MMP1RAB9A
SCHEMBL9496881 0.75 ALDH1A1 (0.55) MMP2MMP12MMP9MMP1RAB9A

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 MMP2 4475/4885MMP12 4665/4885MMP9 4754/4885

“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.