SCHEMBL4770558

SCHEMBL4770558

CCCCCCc1ncc(C(=O)OCCC(C)=C(F)F)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ESR1 P03372 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL4765456 1.00 ALDH1A1 (0.38) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4770777 0.99 RAB9A (0.38) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4767254 0.96 RAB9A (0.38) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4769632 0.88 ALDH1A1 (0.41) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4766959 0.88 ALDH1A1 (0.41) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4762535 0.87 TSHR (0.40) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4762455 0.85 NPC1 (0.40) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4762355 0.84 RAB9A (0.52) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4764989 0.84 RAB9A (0.52) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4767399 0.83 RAB9A (0.53) ALDH1A1TSHRLMNARAB9ANPC1

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 2772/4885LMNA 4259/4885

“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.