SCHEMBL4768971

SCHEMBL4768971

CC(CCCCOC(=O)c1sc(C(C)C)nc1C)=C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL4768733 0.91 ALDH1A1 (0.39) TSHRALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4771205 0.88 TSHR (0.39) TSHRALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4771473 0.85 NPC1 (0.45) TSHRALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4763597 0.82 TSHR (0.41) TSHRALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4769481 0.81 TSHR (0.38) TSHRALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4765315 0.80 TSHR (0.42) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4767560 0.80 TSHR (0.42) TSHRALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4765048 0.80 ALDH1A1 (0.40) TSHRALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4765497 0.79 CASP3 (0.37) TSHRALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL4765331 0.79 TSHR (0.44) TSHRALDH1A1HPGDKDM4EL3MBTL1

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 TSHR 2772/4885ALDH1A1 875/4885HPGD 3438/4885

“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.