SCHEMBL4767217

SCHEMBL4767217

CCn1c(C(=O)OCCCCC(C)=C(F)F)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.47
NOD1 Q9Y239 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F10 P00742 2/20 0.43
SRC P12931 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PPARG P37231 1/20 0.39

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 0.86 MCL1 (0.47) KDM4ECRHBPCRHR2SMN1; SMN2SRC
SCHEMBL3259707 0.78 NOD2 (0.71) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL4762353 0.74 ALDH1A1 (0.42) KDM4ESMN1; SMN2
SCHEMBL4763633 0.72 NPC1 (0.45) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4765627 0.71 KDM4E (0.49) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4769039 0.71 HDAC3 (0.47) KDM4ESMN1; SMN2
SCHEMBL4772607 0.71 HSD17B10 (0.62) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4764999 0.70 HDAC3 (0.48) KDM4ESMN1; SMN2
SCHEMBL4769477 0.70 NR4A2 (0.53) KMT2ASMN1; SMN2
SCHEMBL4769605 0.70 CHRNB2 (0.48) KMT2AKDM4ESMN1; 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 NOD2 3518/4885NOD1 1827/4885MEN1 1893/4885

“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.