SCHEMBL4767809

SCHEMBL4767809

CCCCn1cc(C(=O)OCCC(C)=C(F)F)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEAD2 Q15562 1/20 0.36
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 6/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL4767569 0.93 ALDH1A1 (0.33) TEAD2TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4763215 0.80 KLKB1 (0.42) TSHRL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL4767238 0.77 KMT2A (0.39) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4769499 0.74 NPSR1 (0.47) TDP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL4762455 0.72 NPC1 (0.40) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4764990 0.72 POLB (0.34) LMNAESR1KDM4EPOLBMAPT
SCHEMBL4767257 0.71 ESR1 (0.34) TSHRCYP3A4MAPK1TP53LMNA
SCHEMBL4767254 0.71 RAB9A (0.38) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4762535 0.71 TSHR (0.40) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4770777 0.70 RAB9A (0.38) TSHRTDP1L3MBTL1CYP3A4MAPK1

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 TEAD2 2367/4885TSHR 2772/4885TDP1 4027/4885

“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.