SCHEMBL4763554

SCHEMBL4763554

CC(CCCCOC(=O)c1ccco1)=C(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 2/20 0.42
GLA P06280 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL31337846 0.84 ALDH1A1 (0.59) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL15256939 0.81 ALDH1A1 (0.59) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL891541 0.80 ALDH1A1 (0.66) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL5935750 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL3506021 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL25291024 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL31740243 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL25249180 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL19810540 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL1532462 0.79 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPSR1KMT2A

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 ALDH1A1 875/4885TSHR 2772/4885MAPT 4388/4885

“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.