SCHEMBL4768906

SCHEMBL4768906

COc1ccc(-c2nc(C)c(C(=O)OCCCCC(C)=C(F)F)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.48
DBF4 Q9UBU7 2/20 0.48
PTPN11 Q06124 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
PPARA Q07869 1/20 0.43
TARBP2 Q15633 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.41
ALOX5 P09917 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DDX3X O00571 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4767765 0.90 RAB9A (0.55) CDC7DBF4PTPN11MAPTALDH1A1
SCHEMBL4767289 0.89 SMN1; SMN2 (0.51) CDC7DBF4MAPTALDH1A1SMN1; SMN2
SCHEMBL4763860 0.88 TRPM8 (0.43) CDC7DBF4MAPTALDH1A1SMN1; SMN2
SCHEMBL4763721 0.83 KDM4E (0.42) CDC7DBF4MAPTALDH1A1SMN1; SMN2
SCHEMBL4762176 0.82 KMT2A (0.58) CDC7DBF4MAPTALDH1A1SMN1; SMN2
SCHEMBL4772749 0.82 CDC7 (0.51) CDC7DBF4MAPTALDH1A1SMN1; SMN2
SCHEMBL4767637 0.81 SMN1; SMN2 (0.54) CDC7DBF4MAPTALDH1A1SMN1; SMN2
SCHEMBL4767766 0.81 SMN1; SMN2 (0.46) CDC7DBF4MAPTALDH1A1SMN1; SMN2
SCHEMBL28295659 0.81 CDC7 (0.57) CDC7DBF4PTPN11MAPTALDH1A1
SCHEMBL4762227 0.80 CDC7 (0.49) CDC7DBF4MAPTALDH1A1SMN1; SMN2

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 CDC7 2900/4885DBF4 822/4885PTPN11 420/4885

“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.