SCHEMBL3355742

SCHEMBL3355742

CC=C(N)C(=O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 6/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
HCAR2 Q8TDS4 3/20 0.46
NAAA Q02083 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XDH P47989 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 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
SCHEMBL27490698 0.92 TSHR (0.56) ATMALDH1A1TSHRRAB9ANPSR1
SCHEMBL3357403 0.87 HCAR2 (0.42) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL8191642 0.86 ATM (0.50) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL15641312 0.86 ATM (0.50) ATMALDH1A1TSHRHPGDRAB9A
Hydrochloric Acid SCHEMBL5487401 0.84 ATM (0.48) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL3355790 0.84 ATM (0.48) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL9817168 0.82 ATM (0.57) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL9817165 0.82 ATM (0.57) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL9846747 0.82 ATM (0.57) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL165647 0.80 ALDH1A1 (0.56) ATMALDH1A1TSHRHPGDRAB9A

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 17 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-4213980-A1 AMINE MODIFIED POLYSACCHARIDE URETHANE/UREA MICROCAPSULES Encapsys, LLC (US) 2023-07-26 EP disclosed
WO-2022061103-A1 AMINE MODIFIED POLYSACCHARIDE URETHANE/UREA MICROCAPSULES ENCAPSYS, LLC (US) 2022-03-24 WO disclosed
EP-2702035-B1 PROCESS FOR CONTINUOUS FLOW SYNTHESIS OF BETA-AMINO CROTONATE COUNCIL SCIENT IND RES (IN) 2018-03-07 EP 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-8993112-B2 Polymeric particles BASF SE (DE) 2015-03-31 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-2012147103-A2 PROCESS FOR CONTINUOUS FLOW SYNTHESIS OF β-ΑΜΙΝΟ CROTONATE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-11-01 WO disclosed
EP-1756184-B1 POLYMERIC PARTICLES BASF SE (DE) 2010-01-13 EP disclosed
US-20070255008-A1 Polymeric Particles CIBA CORPORATION 2007-11-01 US disclosed
EP-1756184-A1 POLYMERIC PARTICLES Ciba Specialty Chemicals Holding Inc. (CH) 2007-02-28 EP disclosed
WO-2005123796-A1 POLYMERIC PARTICLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-29 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-20140046090-A1 PROCESS FOR CONTINOUS FLOW SYNTHESIS OF beta-AMINO CROTONATE CACNA1C, CACNB3, CROCC ATM 4369/4885ALDH1A1 1588/4885TSHR 4880/4885

“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.