SCHEMBL4765997

SCHEMBL4765997

CC(CCCCOC(=O)c1nc(OCCCCC(C)=C(F)F)cc(Oc2ccccc2C)n1)=C(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTB4R Q15722 9/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4767328 0.93 SMN1; SMN2 (0.34) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL4768834 0.78 HTR4 (0.39) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4767335 0.77 L3MBTL1 (0.38) TDP1L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL4762353 0.70 ALDH1A1 (0.42) TDP1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4769605 0.69 CHRNB2 (0.48) TDP1SMN1; SMN2KDM4E
SCHEMBL4770615 0.69 APP (0.55) L3MBTL1LMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL4765015 0.69 KMT2A (0.49) TDP1L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL4769493 0.69 MEN1 (0.48) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4768859 0.68 CYP1A2 (0.34) ALDH1A1
SCHEMBL4763828 0.67 MCL1 (0.47) MAPTSMN1; 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 TDP1 4027/4885L3MBTL1 17/4885LTB4R 2251/4885

“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.