SCHEMBL13729941

SCHEMBL13729941

CCCCOC(=O)/C=C/CN

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.70
HCAR2 Q8TDS4 4/20 0.61
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
RAB9A P51151 1/20 0.57
TSHR P16473 2/20 0.55
HPGD P15428 1/20 0.55
APP P05067 5/20 0.49
ALDH1A1 P00352 1/20 0.47
GABRR1 P24046 2/20 0.40
GABRR2 P28476 2/20 0.40
BLM P54132 2/20 0.40
GABRR3 A8MPY1 1/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL16866042 1.00 ATM (0.70) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL11481011 0.88 ATM (0.50) ATMHCAR2MAPTNPSR1RAB9A
Ethylenediamine SCHEMBL28074917 0.86 ATM (0.87) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL15607678 0.85 ATM (0.66) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL690841 0.84 ATM (0.76) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL9561881 0.84 ATM (0.76) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL690840 0.84 ATM (0.76) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL269917 0.83 ATM (1.00) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL28154 0.83 ATM (1.00) ATMHCAR2MAPTNPSR1RAB9A
SCHEMBL28153 0.83 ATM (1.00) ATMHCAR2MAPTNPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702035-B1 PROCESS FOR CONTINUOUS FLOW SYNTHESIS OF BETA-AMINO CROTONATE COUNCIL SCIENT IND RES (IN) 2018-03-07 EP claimed
US-9199913-B2 Process for continous flow synthesis of beta-amino crotonate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-01 US claimed
EP-2702035-A2 PROCESS FOR CONTINUOUS FLOW SYNTHESIS OF BETA-AMINO CROTONATE Council of Scientific & Industrial Research (IN) 2014-03-05 EP claimed
US-20140046090-A1 PROCESS FOR CONTINOUS FLOW SYNTHESIS OF beta-AMINO CROTONATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-13 US claimed
WO-2012147103-A2 PROCESS FOR CONTINUOUS FLOW SYNTHESIS OF β-ΑΜΙΝΟ CROTONATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-01 WO claimed
EP-2702035-B1 PROCESS FOR CONTINUOUS FLOW SYNTHESIS OF BETA-AMINO CROTONATE COUNCIL SCIENT IND RES (IN) 2018-03-07 EP disclosed
US-9376372-B2 Process for producing amine compounds MONASH UNIVERSITY (AU) 2016-06-28 US disclosed
US-9199913-B2 Process for continous flow synthesis of beta-amino crotonate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-01 US disclosed
US-20150183724-A1 PROCESS FOR PRODUCING AMINE COMPOUNDS MONASH UNIVERSITY (AU) 2015-07-02 US disclosed
EP-2702035-A2 PROCESS FOR CONTINUOUS FLOW SYNTHESIS OF BETA-AMINO CROTONATE Council of Scientific & Industrial Research (IN) 2014-03-05 EP disclosed
US-20140046090-A1 PROCESS FOR CONTINOUS FLOW SYNTHESIS OF beta-AMINO CROTONATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-13 US disclosed
WO-2014005196-A1 PROCESSES FOR PRODUCING AMINE COMPOUNDS MONASH UNIVERSITY (AU) 2014-01-09 WO disclosed
WO-2012147103-A2 PROCESS FOR CONTINUOUS FLOW SYNTHESIS OF β-ΑΜΙΝΟ CROTONATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-01 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-20150183724-A1 PROCESS FOR PRODUCING AMINE COMPOUNDS DDC, SRM, DAO ATM 1215/4885HCAR2 1975/4885MAPT 272/4885
US-20140046090-A1 PROCESS FOR CONTINOUS FLOW SYNTHESIS OF beta-AMINO CROTONATE CACNA1C, CACNB3, CROCC ATM 4369/4885HCAR2 359/4885MAPT 2868/4885

“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.