SCHEMBL1846266

SCHEMBL1846266

OCC=CCNCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DPP7 Q9UHL4 1/20 0.50
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
MAOA P21397 1/20 0.47
THRB P10828 1/20 0.46
IDO1 P14902 1/20 0.46
CHRM2 P08172 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
TK1 P04183 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL2242696 1.00 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL15607673 0.89 MEN1 (0.64) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL457444 0.83 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL6616250 0.81 MAOB (0.65) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL8781417 0.81 MEN1 (0.54) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL16869633 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL11665806 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL887920 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL2720624 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL28778151 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 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 (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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS MEN1 2099/4885KMT2A 3317/4885TDP1 940/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS MEN1 1047/4885KMT2A 3884/4885TDP1 1032/4885

“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.