SCHEMBL77505

SCHEMBL77505

COC(=O)c1coc(C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
NOTUM Q6P988 1/20 0.35
F2 P00734 2/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1G O43497 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KCNH2 Q12809 1/20 0.34
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL20462601 0.81 ALDH1A1 (0.40) IRAK4KMT2AKDM4EALDH1A1MAPT
SCHEMBL5313521 0.81 CYP1A2 (0.49) MAPK1KMT2AKDM4EALDH1A1MAPT
SCHEMBL12682188 0.81 DAGLA (0.36) DAGLANPSR1MAPK1NOTUMCACNA1G
Hydrochloric Acid SCHEMBL12492292 0.80 DAGLA (0.35) DAGLANPSR1MAPK1NOTUMCACNA1G
Hydrochloric Acid SCHEMBL12492295 0.80 DAGLA (0.35) DAGLANPSR1MAPK1NOTUMCACNA1G
SCHEMBL12682253 0.80 DAGLA (0.35) DAGLANPSR1MAPK1NOTUMCACNA1G
SCHEMBL17281398 0.79 DAGLA (0.36) DAGLAIRAK4KDM4EALDH1A1
SCHEMBL8965333 0.79 KDM4E (0.35) DAGLAIRAK4KMT2AKDM4EALDH1A1
SCHEMBL22618722 0.78 NPC1 (0.40) IRAK4KDM4EALDH1A1MAPTHDAC1
SCHEMBL9459939 0.78 ALDH1A1 (0.46) MAPK1IRAK4KMT2AALDH1A1

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
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 DAGLA 2944/4885NPSR1 4493/4885MAPK1 2712/4885

“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.