SCHEMBL939129

SCHEMBL939129

CC(CC(N)=O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.42
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
ECE1 P42892 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37

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
SCHEMBL12575149 1.00 BHMT (0.42) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL14445570 0.90 BHMT (0.48) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL3392036 0.89 ALDH1A1 (0.38) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL258152 0.86 SLC22A6 (0.50) BHMTCACNA2D1CACNB3CACNA1CPGR
Acetamide SCHEMBL4103797 0.83 LMNA (0.47) CACNA2D1CACNB3CACNA1CECE1LMNA
SCHEMBL11112412 0.83 SLC22A6 (0.47) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL10902055 0.83 SLC22A6 (0.47) BHMTCACNA2D1CACNB3CACNA1CPGR
SCHEMBL14109598 0.83 SLC22A6 (0.47) BHMTCACNA2D1CACNB3CACNA1CPGR
Ethane SCHEMBL5968227 0.83 SLC22A6 (0.47) BHMTCACNA2D1CACNB3CACNA1CPGR
Ammonia Solution, Strong SCHEMBL28582304 0.83 TDP1 (0.53) BHMTCACNA2D1CACNB3CACNA1CPGR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3367999-A1 FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS The Procter and Gamble Company (US) 2018-09-05 EP claimed
US-20170121633-A1 Fragrance Compositions Comprising Ionic Liquids THE PROCTER & GAMBLE COMPANY 2017-05-04 US claimed
WO-2017075299-A1 FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS THE PROCTER & GAMBLE COMPANY (US) 2017-05-04 WO claimed
WO-2024017969-A1 SILANE-TERMINATED POLYMERS MERZ + BENTELI AG (CH) 2024-01-25 WO disclosed
WO-2024017972-A1 SILANE-TERMINATED POLYMERS MERZ + BENTELI AG (CH) 2024-01-25 WO disclosed
WO-2023048554-A1 METHOD FOR EARLY DIAGNOSIS OF GESTATIONAL DIABETES Universidad Nacional Autónoma de México (MX) 2023-03-30 WO disclosed
EP-3367999-A1 FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS The Procter and Gamble Company (US) 2018-09-05 EP disclosed
WO-2017075299-A1 FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS THE PROCTER & GAMBLE COMPANY (US) 2017-05-04 WO disclosed
US-20170121633-A1 Fragrance Compositions Comprising Ionic Liquids THE PROCTER & GAMBLE COMPANY 2017-05-04 US disclosed
US-9346755-B2 Kinetic resolution THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN TRINITY COLLEGE, UNIVERSITY OF DUBLIN (IE) 2016-05-24 US disclosed
US-9346755-B2 Kinetic resolution THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN TRINITY COLLEGE, UNIVERSITY OF DUBLIN (IE) 2016-05-24 US disclosed
US-20150073170-A1 KINETIC RESOLUTION The Provost, Fellows, Foundation Scholars, and the Other Members of the Board, of the College of the (IE) 2015-03-12 US disclosed
US-20150073170-A1 KINETIC RESOLUTION The Provost, Fellows, Foundation Scholars, and the Other Members of the Board, of the College of the (IE) 2015-03-12 US disclosed
US-8946429-B2 Kinetic resolution THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF THE BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2015-02-03 US disclosed
US-8946429-B2 Kinetic resolution THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF THE BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2015-02-03 US disclosed
US-20120277437-A1 KINETIC RESOLUTION THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY (IE) 2012-11-01 US disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
WO-2011070028-A1 KINETIC RESOLUTION THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2011-06-16 WO disclosed
EP-2332895-A1 Kinetic Resolution The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2011-06-15 EP disclosed
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS XENON PHARMACEUTICALS INC. (CA) 2011-01-27 US 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 (4 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-20150073170-A1 KINETIC RESOLUTION SPR, ADH5, ADH1C BHMT 70/4885CACNA2D1 4724/4885CACNB3 2975/4885
US-20170121633-A1 Fragrance Compositions Comprising Ionic Liquids CUTA, TRPA1, POLR1C BHMT 3013/4885CACNA2D1 3612/4885CACNB3 2014/4885
US-20120277437-A1 KINETIC RESOLUTION SPR, ADH5, ADH1C BHMT 70/4885CACNA2D1 4724/4885CACNB3 2975/4885
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R BHMT 1434/4885CACNA2D1 2964/4885CACNB3 4124/4885

“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.