SCHEMBL4764990

SCHEMBL4764990

CCCCc1cc(C(=O)OCCC(C)=C(F)F)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ESR1 P03372 8/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MAPT P10636 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL4767257 0.97 ESR1 (0.34) POLBESR1NPC1RAB9ASMN1; SMN2
SCHEMBL4768880 0.93 POLB (0.40) POLBESR1NPC1RAB9ASMN1; SMN2
SCHEMBL20503314 0.76 LMNA (0.44) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4770435 0.74 SMN1; SMN2 (0.46) POLBRAB9ASMN1; SMN2
SCHEMBL859 0.73 POLB (0.50) POLBESR1NPC1RAB9ASMN1; SMN2
SCHEMBL2934234 0.72 KDM4E (0.47) POLBKDM4ELMNAMAPTKDM5A
SCHEMBL4767809 0.72 TEAD2 (0.36) POLBESR1SMN1; SMN2KDM4ELMNA
SCHEMBL19635551 0.72 KDM4E (0.39) POLBESR1KDM4EMAPTKDM5A
SCHEMBL27754074 0.71 POLB (0.42) POLBKDM4ELMNAMAPTKDM5A
SCHEMBL6713457 0.71 LMNA (0.44) POLBNPC1RAB9ASMN1; SMN2KDM4E

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 POLB 3681/4885ESR1 2953/4885NPC1 2528/4885

“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.