SCHEMBL7301249

SCHEMBL7301249

NCCC(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
HTT P42858 1/20 0.49
MMP2 P08253 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47

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
Hydrochloric Acid SCHEMBL17335911 0.98 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TAAR1HTT
Hydrochloric Acid SCHEMBL31258271 0.97 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1TAAR1HTT
SCHEMBL7303574 0.93 LTA4H (0.52) ALDH1A1L3MBTL1MAPK1TAAR1HTT
SCHEMBL7301925 0.92 MMP2 (0.52) ALDH1A1L3MBTL1MAPK1TAAR1HTT
SCHEMBL23518457 0.91 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1TAAR1HTT
SCHEMBL20844332 0.87 MAPT (0.51) ALDH1A1L3MBTL1LMNAPOLBKMT2A
SCHEMBL20334484 0.87 HDAC3 (0.50) ALDH1A1L3MBTL1MAPK1TAAR1HTT
Hydrochloric Acid SCHEMBL23748118 0.86 HDAC3 (0.49) ALDH1A1L3MBTL1MAPK1TAAR1HTT
SCHEMBL19733921 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1TAAR1HTT
SCHEMBL19384905 0.85 HTT (0.64) L3MBTL1HTTMMP2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3155436-B1 ISOBARIC MASS LABELS ELECTROPHORETICS LTD (GB) 2023-08-30 EP disclosed
EP-3155436-B1 ISOBARIC MASS LABELS ELECTROPHORETICS LTD (GB) 2023-08-30 EP disclosed
EP-3080608-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2023-02-01 EP disclosed
US-10697976-B2 Mass labels ELECTROPHORETICS LIMITED (GB) 2020-06-30 US disclosed
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 US disclosed
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 US disclosed
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 US disclosed
EP-3155436-A1 ISOBARIC MASS LABELS Electrophoretics Limited (GB) 2017-04-19 EP disclosed
US-20170045526-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-02-16 US disclosed
US-9527964-B2 Thermoplastic elastomers containing an oligopeptide hard component THE UNIVERSITY OF AKRON (US) 2016-12-27 US disclosed
WO-2015189413-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2015-12-17 WO disclosed
US-20150141574-A1 THERMOPLASTIC ELASTOMERS CONTAINING AN OLIGOPEPTIDE HARD COMPONENT THE UNIVERSITY OF AKRON (US) 2015-05-21 US disclosed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL ALDH1A1 725/4885L3MBTL1 102/4885MAPK1 4548/4885

“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.