SCHEMBL77586

SCHEMBL77586

CCCCCC(=O)Nc1cccc(C(C)(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
GLA P06280 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DEGS1 O15121 1/20 0.49
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
HDAC8 Q9BY41 4/20 0.44
HDAC3 O15379 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL77605 0.90 ADORA3 (0.47) NPC1MAPK1RAB9ASMN1; SMN2ADORA3
SCHEMBL10068156 0.83 ALDH1A1 (0.60) NPC1MAPK1RAB9ASMN1; SMN2LMNA
SCHEMBL15305700 0.82 SMN1; SMN2 (0.58) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL10068151 0.81 HTT (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL24143589 0.81 NPC1 (0.47) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL10068140 0.80 EPHX1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10068152 0.80 RAB9A (0.45) NPC1GLAMAPK1L3MBTL1RAB9A
SCHEMBL91555 0.80 NPC1 (0.51) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL4683886 0.78 RAB9A (0.51) NPC1GLAMAPK1L3MBTL1DEGS1
SCHEMBL30373854 0.78 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 8 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-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-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.