SCHEMBL4764989

SCHEMBL4764989

CCCCCCCSc1ncc(C(=O)OCCC(C)=C(F)F)c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 5/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4762355 1.00 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4767399 0.99 RAB9A (0.53) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4762464 0.96 RAB9A (0.56) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4765970 0.92 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4770558 0.84 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4765456 0.84 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4770777 0.83 RAB9A (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4769632 0.83 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2NFKB1POLB
SCHEMBL4766959 0.83 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2NFKB1POLB
SCHEMBL4762163 0.82 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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 RAB9A 838/4885NPC1 2528/4885SMN1; SMN2 2115/4885

“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.