SCHEMBL4763633

SCHEMBL4763633

CC(CCCCOC(=O)c1cccn1C)=C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4763828 0.77 MCL1 (0.47) MAPTSMN1; SMN2KDM4E
SCHEMBL14382580 0.75 NPC1 (0.55) NPC1RAB9ATDP1MAPK1ALDH1A1
SCHEMBL4769477 0.74 NR4A2 (0.53) MAPK1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL4763706 0.73 TUBB4A (0.42) RAB9A
SCHEMBL2349613 0.73 NPC1 (0.47) NPC1RAB9ATDP1MAPK1ALDH1A1
SCHEMBL4767217 0.72 NOD2 (0.47) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4771335 0.72 MMP2 (0.44) NPC1RAB9ATDP1MAPK1MEN1
SCHEMBL4763554 0.72 ALDH1A1 (0.49) NPC1ALDH1A1MAPTMEN1HPGD
SCHEMBL2399420 0.72 NPC1 (0.57) NPC1RAB9ATDP1MAPK1ALDH1A1
SCHEMBL4763614 0.72 CNR2 (0.37) NPC1RAB9AMEN1KMT2ACNR2

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 NPC1 2528/4885RAB9A 838/4885TDP1 4027/4885

“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.