SCHEMBL266382

SCHEMBL266382

CC(C)C(=NO)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 3/20 0.43
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
HPGD P15428 3/20 0.41
XBP1 P17861 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.40
GFER P55789 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL10041973 1.00 POLB (0.51) POLBMAPTNPSR1MAPK1TDP1
SCHEMBL10050934 1.00 POLB (0.51) POLBMAPTNPSR1MAPK1TDP1
SCHEMBL5918159 0.84 MEN1 (0.42) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL11082943 0.82 MEN1 (0.41) POLBMAPTMEN1KMT2AGAA
SCHEMBL11082940 0.82 MEN1 (0.41) POLBMAPTMEN1KMT2AGAA
SCHEMBL27425745 0.80 MEN1 (0.47) MAPTMAPK1TDP1L3MBTL1MEN1
SCHEMBL11313374 0.79 ALDH1A1 (0.46) MAPTNPSR1MAPK1TDP1MEN1
SCHEMBL11313376 0.79 ALDH1A1 (0.46) MAPTNPSR1MAPK1TDP1MEN1
SCHEMBL31072922 0.79 POLB (0.46) POLBMAPTNPSR1MAPK1TDP1
SCHEMBL8777036 0.79 KMT2A (0.50) POLBMAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed
EP-0557274-B1 RECOVERY OF PALLADIUM HENKEL CORP (US) 1994-09-14 EP claimed
CN-104557670-B Fullerene and 3,4 dihydro pyrrole derivates and preparation method thereof 上海大学 2017-10-24 CN disclosed
EP-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP disclosed
CN-104557670-A Fullereno-3,4-dihydropyrrole derivative and preparation method thereof UNIV SHANGHAI 2015-04-29 CN disclosed
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US disclosed
US-8076343-B2 Benzimidazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-13 US disclosed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 US disclosed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US disclosed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 EP disclosed
WO-1999018065-A1 CHIRAL AMINES CHIROTECH TECHNOLOGY LIMITED (GB) 1999-04-15 WO disclosed
US-5654458-A PALLADIUM CHLORIDE COMPLEX WITH ETHER OXIME HENKEL CORPORATION (US) 1997-08-05 US disclosed
EP-0557274-B1 RECOVERY OF PALLADIUM HENKEL CORP (US) 1994-09-14 EP disclosed
EP-0083293-B1 REMOVAL OF ACRYLONITRILE FROM LATEX WITH OXIMES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-11-05 EP disclosed
US-4365027-A TO FORM CYANOETHYL OXIMINO ETHER LINKAGE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-12-21 US disclosed
US-RE30634-E INSECTICIDES SHELL OIL COMPANY (US) 1981-06-02 US disclosed
US-4079149-A INSECTICIDES SHELL OIL COMPANY (US) 1978-03-14 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-20100069670-A1 Oxidation catalyst PPOX, SOD1, HAO2 POLB 549/4885MAPT 3864/4885NPSR1 4133/4885
US-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases PDK1, AURKC, PIM3 POLB 2207/4885MAPT 2133/4885NPSR1 4857/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 POLB 549/4885MAPT 3864/4885NPSR1 4133/4885

“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.