SCHEMBL2485306

SCHEMBL2485306

CCOC(=O)[C@@H]1CCC[C@H](CBr)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL2485304 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2485308 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2487025 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2487028 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL25481593 0.87 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL22796405 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL22070743 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL17040985 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL22070745 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1169921 0.84 ALDH1A1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697311-B1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
EP-1697311-B1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
US-7662402-B2 contains fluoroalkyl group; insecticides, miticides, nematocides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 US disclosed
US-7662402-B2 contains fluoroalkyl group; insecticides, miticides, nematocides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 US disclosed
US-7662402-B2 contains fluoroalkyl group; insecticides, miticides, nematocides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 US disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
EP-1697311-A1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
WO-2005063694-A1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-14 WO 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-20070112068-A1 Nitrile compound and its use in pest control C5, C9, C1S MEN1 824/4885KMT2A 2002/4885ALDH1A1 2441/4885

“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.