SCHEMBL4768993

SCHEMBL4768993

CC(CCCCOC(=O)c1cc(C)n(-c2ccccc2)n1)=C(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 3/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 5/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
NPY5R Q15761 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 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
SCHEMBL4765015 0.81 KMT2A (0.49) KMT2ATP53TDP1ALDH1A1L3MBTL1
SCHEMBL3299372 0.79 KMT2A (0.68) KMT2AGAATP53POLBMAPT
SCHEMBL4763220 0.79 MAPK1 (0.53) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL4770615 0.75 APP (0.55) KMT2AGAATHRBMEN1ALDH1A1
SCHEMBL4762353 0.74 ALDH1A1 (0.42) TP53MAPTTDP1ALDH1A1MAPK1
SCHEMBL6763715 0.72 CA9 (0.61) KMT2AGAATP53POLBMAPT
SCHEMBL4769493 0.72 MEN1 (0.48) KMT2AMAPTMEN1ALDH1A1
SCHEMBL4771227 0.71 HDAC1 (0.44) GAATP53MAPTTDP1L3MBTL1
SCHEMBL18017546 0.71 KMT2A (0.57) KMT2AGAATP53POLBMAPT
SCHEMBL20502190 0.71 KMT2A (0.60) KMT2AGAATP53POLBMAPT

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 770/4885GAA 3408/4885TP53 1193/4885

“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.