SCHEMBL4769632

SCHEMBL4769632

CCCCCCOc1ncc(C(=O)OCCC(C)=C(F)F)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 2/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATF1 P18846 2/20 0.36

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
SCHEMBL4766959 1.00 ALDH1A1 (0.41) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4762535 0.99 TSHR (0.40) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4762455 0.95 NPC1 (0.40) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4765058 0.92 RAB9A (0.37) ALDH1A1TSHRLMNATP53KDM4E
SCHEMBL4765268 0.91 TSHR (0.40) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4767737 0.90 RAB9A (0.34) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4763186 0.89 TSHR (0.36) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4765456 0.88 ALDH1A1 (0.38) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4770558 0.88 ALDH1A1 (0.38) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL4765428 0.87 TSHR (0.38) ALDH1A1TSHRLMNATP53KDM4E

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.