SCHEMBL4766068

SCHEMBL4766068

CCCCCCOc1ncc(C(=O)OCC)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 5/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 6/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL20556217 1.00 RAB9A (0.47) RAB9ANPC1LMNAHSD17B10SMN1; SMN2
SCHEMBL4762379 0.99 RAB9A (0.48) RAB9ANPC1LMNAHSD17B10SMN1; SMN2
SCHEMBL4772704 0.94 NPC1 (0.52) RAB9ANPC1LMNAHSD17B10SMN1; SMN2
SCHEMBL4769283 0.90 RAB9A (0.50) RAB9ANPC1LMNAHSD17B10SMN1; SMN2
SCHEMBL4763536 0.89 RAB9A (0.47) RAB9ANPC1LMNAHSD17B10SMN1; SMN2
SCHEMBL4769519 0.86 KDM4E (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4770721 0.86 KDM4E (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4772706 0.86 KDM4E (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4769593 0.85 MAPT (0.56) RAB9ANPC1LMNAHSD17B10SMN1; SMN2
SCHEMBL4771466 0.84 ALDH1A1 (0.48) RAB9ANPC1LMNASMN1; SMN2NPSR1

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 2528/4885LMNA 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.