SCHEMBL4763109

SCHEMBL4763109

CC(CCOC(=O)c1cncc(C#Cc2ccccc2)c1)=C(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GRM5 P41594 1/20 0.38
PTGES O14684 1/20 0.37
CNR2 P34972 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
FFAR1 O14842 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
SCHEMBL834845 0.81 CYP2C9 (0.60) MAPTCYP2C9CYP2C19LMNAL3MBTL1
SCHEMBL4767563 0.78 LMNA (0.59) LMNATDP1
SCHEMBL1477039 0.77 MAPT (0.55) MAPTLMNAL3MBTL1TDP1GRM5
Hydrochloric Acid SCHEMBL1477229 0.76 MAPT (0.54) MAPTLMNAL3MBTL1TDP1GRM5
SCHEMBL1477293 0.75 MAPT (0.56) MAPTGRM5PTGES
SCHEMBL4763364 0.74 ALDH1A1 (0.42) MAPTCYP2C9CYP2C19LMNAL3MBTL1
SCHEMBL4767734 0.74 CYP11B1 (0.38) MAPTCYP2C9CYP2C19LMNACYP11B1
SCHEMBL4763338 0.72 MAPT (0.45) MAPTLMNAL3MBTL1TDP1
SCHEMBL834425 0.72 MAPT (0.58) MAPTLMNAL3MBTL1GRM5PTGES
SCHEMBL4767829 0.71 LDHA (0.50) MAPTLMNACNR2

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 MAPT 4388/4885CYP2C9 1005/4885CYP2C19 2150/4885

“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.