SCHEMBL1219862

SCHEMBL1219862

COC(=O)C=CN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
USP2 O75604 3/20 0.53
ALOX12 P18054 2/20 0.53
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
NFE2L2 Q16236 3/20 0.44
HCAR2 Q8TDS4 2/20 0.44
KEAP1 Q14145 1/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.41
TP53 P04637 2/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL1219859 1.00 RECQL (0.57) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL6772333 0.84 NFE2L2 (0.52) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL6772335 0.84 NFE2L2 (0.52) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL1144905 0.82 NFE2L2 (0.50) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL1144907 0.82 NFE2L2 (0.50) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL23883080 0.80 ALDH1A1 (0.55) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL3310731 0.80 ALDH1A1 (0.55) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL17010360 0.78 MAPT (0.49) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL6454724 0.77 RECQL (0.49) RECQLALDH1A1MAPTUSP2ALOX12
SCHEMBL2647676 0.77 NFE2L2 (0.44) RECQLALDH1A1MAPTUSP2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362874-B Preparation method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid 徐州圣元化工有限公司 2021-06-29 CN disclosed
CN-111362874-A Preparation method of 3- (difluoromethyl) -1-methyl-1H-pyrazole-4-carboxylic acid 徐州圣元化工有限公司 2020-07-03 CN disclosed
CN-105969022-A Core-shell nanoparticles 帝斯曼知识产权资产管理有限公司 2016-09-28 CN disclosed
EP-2300417-B1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2015-07-22 EP disclosed
US-8592578-B2 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2013-11-26 US disclosed
US-20130041147-A1 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2013-02-14 US disclosed
US-8314233-B2 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2012-11-20 US disclosed
CN-102471592-A Electrically conductive polymer composition and method for producing same SOKEN KAGAKU KK 2012-05-23 CN disclosed
CN-102471593-A Composition for solid electrolyte and solar cell using same SOKEN KAGAKU KK 2012-05-23 CN disclosed
EP-2300417-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2011-03-30 EP disclosed
US-20110046371-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2011-02-24 US disclosed
WO-2009133178-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2009-11-05 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-20130041147-A1 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters FFAR3, CBR3, NMBR RECQL 4084/4885ALDH1A1 1418/4885MAPT 4661/4885
US-20110046371-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS FFAR3, CBR3, NMBR RECQL 4084/4885ALDH1A1 1418/4885MAPT 4661/4885

“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.