SCHEMBL91555

SCHEMBL91555

CCCCCC(=O)Nc1cccc(CC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
GLA P06280 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DEGS1 O15121 1/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
CHRNA4 P43681 2/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
CETP P11597 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL91504 0.89 CHRNB2 (0.54) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4683886 0.89 RAB9A (0.51) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL24143589 0.86 NPC1 (0.47) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL27509328 0.86 RAB9A (0.49) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL23619457 0.85 SMN1; SMN2 (0.50) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL15305700 0.84 SMN1; SMN2 (0.58) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL6361201 0.83 CHRNB2 (0.53) NPC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL77586 0.80 NPC1 (0.49) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL10083506 0.80 HTT (0.57) NPC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30373854 0.80 NPC1 (0.49) NPC1GLAMAPK1L3MBTL1DEGS1

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-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
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-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-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 (3 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 NPC1 3856/4885GLA 1563/4885MAPK1 2712/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 NPC1 3571/4885GLA 1834/4885MAPK1 2725/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 NPC1 3836/4885GLA 1557/4885MAPK1 2690/4885

“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.