SCHEMBL4765015

SCHEMBL4765015

CC(CCCCOC(=O)c1nc(C)n(-c2ccccc2)n1)=C(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 1/20 0.39
PDE4D Q08499 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4768993 0.81 KMT2A (0.47) KMT2AL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL6029638 0.78 KMT2A (0.75) KMT2AADORA2AADORA1HTTL3MBTL1
SCHEMBL4763220 0.78 MAPK1 (0.53) SMN1; SMN2ALDH1A1HPGDMAPK1LMNA
SCHEMBL4767573 0.70 MAPK1 (0.56) SMN1; SMN2ALDH1A1HPGDMAPK1LMNA
SCHEMBL6029647 0.70 SMN1; SMN2 (0.68) KMT2AADORA2AADORA1HTTTDP1
SCHEMBL4767289 0.70 SMN1; SMN2 (0.51) KMT2AL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4768834 0.69 HTR4 (0.39) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL4770615 0.69 APP (0.55) KMT2AHTTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4769493 0.69 MEN1 (0.48) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4765991 0.69 ALDH1A1 (0.51) KMT2AL3MBTL1SMN1; SMN2ALDH1A1KDM4E

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 KMT2A 770/4885ADORA2A 4698/4885ADORA1 4148/4885

“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.