SCHEMBL10068152

SCHEMBL10068152

CCCCCOC(=O)Nc1cccc(C(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 2/20 0.45
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 6/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NFKB1 P19838 1/20 0.44
STAT1 P42224 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10068157 0.91 HPGD (0.47) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL10084308 0.90 RAB9A (0.43) RAB9ALMNAHPGDEPHX2SMN1; SMN2
SCHEMBL10078879 0.84 RXFP1 (0.42) RAB9ALMNASMN1; SMN2NPC1TP53
SCHEMBL10084279 0.82 CHRNB2 (0.54) RAB9ALMNAHPGDEPHX2SMN1; SMN2
SCHEMBL10078953 0.81 MGLL (0.50) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL77586 0.80 NPC1 (0.49) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL5347545 0.79 RAB9A (0.64) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL10068151 0.78 HTT (0.54) RAB9AEPHX2SMN1; SMN2NPC1ALDH1A1
SCHEMBL3632906 0.77 RAB9A (0.51) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL7057484 0.77 CHRNB2 (0.58) RAB9ALMNAHPGDSMN1; SMN2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 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 (2 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-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 RAB9A 3267/4885LMNA 2010/4885HPGD 1664/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 RAB9A 3411/4885LMNA 2277/4885HPGD 1635/4885

“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.