SCHEMBL187996

SCHEMBL187996

N#CCC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TDP1 Q9NUW8 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.50
LMNA P02545 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
CTSL P07711 3/20 0.47
CTSS P25774 3/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
CDC25B P30305 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALPG P10696 1/20 0.46
PAM P19021 1/20 0.46

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
SCHEMBL21635721 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL11584476 0.85 TDP1 (0.49) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL9862907 0.83 MMP1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL43748 0.83 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL9098710 0.83 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL17107936 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL20523795 0.82 CYP19A1 (0.44) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL20523786 0.82 KMT2A (0.45) ALDH1A1MAPK1L3MBTL1KMT2ALMNA
SCHEMBL3321151 0.82 TDP1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL11522867 0.82 MAPT (0.48) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351541-B2 Process for preparing cyanoacetates HENKEL AG & CO. KGAA (DE) 2025-07-08 US claimed
CN-115151527-B Process for the preparation of cyanoacetic esters 汉高股份有限及两合公司 2025-05-13 CN claimed
EP-3956297-B1 PROCESS FOR PREPARING CYANOACETATES HENKEL AG & CO KGAA (DE) 2024-09-04 EP claimed
EP-3956293-B1 PROCESS FOR PREPARING CYANOACETATES HENKEL AG & CO KGAA (DE) 2024-08-07 EP claimed
CN-118421037-A Preparation method and application of high-stability green perovskite quantum dot polymer particles 北京航空航天大学合肥创新研究院 2024-08-02 CN claimed
US-11976024-B2 Process for preparing cyanoacetates HENKEL AG & CO. KGAA (DE) 2024-05-07 US claimed
US-11827584-B2 Process for preparing cyanoacetates HENKEL AG & CO. KGAA (DE) 2023-11-28 US claimed
CN-116621732-A 2-cyano-2-valproate and preparation method and application thereof 湖南大学 2023-08-22 CN claimed
EP-4073030-A1 PROCESS FOR PREPARING CYANOACETATES Henkel AG & Co. KGaA (DE) 2022-10-19 EP claimed
US-20220315526-A1 PROCESS FOR PREPARING CYANOACETATES HENKEL IRELAND OPERATIONS AND RESEARCH LIMITED (IE) 2022-10-06 US claimed
WO-2020212583-A1 PROCESS FOR PREPARING CYANOACETATES Henkel IP & Holding GmbH (DE) 2020-10-22 WO claimed
WO-2020212585-A1 PROCESS FOR PREPARING CYANOACETATES Henkel IP & Holding GmbH (DE) 2020-10-22 WO claimed
CN-109422656-A The synthetic method of nonamethylene diamine 北京旭阳科技有限公司 2019-03-05 CN claimed
CN-104945316-B A kind of method of microwave method synthesis 2- halos nicotinate and its intermediate 山东师范大学 2018-05-04 CN claimed
CN-104945317-A Method for synthesizing 2-halogenated ester nicotinate and 2-halogenated ester nicotinate intermediate according to ultrasonic method UNIV SHANDONG NORMAL 2015-09-30 CN claimed
CN-104945316-A Method for synthesizing 2-halogenated nicotinic acid ester and intermediates thereof through microwave method UNIV SHANDONG NORMAL 2015-09-30 CN claimed
CN-102786436-B A kind of method of synthesizing cyanoacetate ZHEJIANG JIURJIU CHEMICALS CO., LTD. (CN) 2015-09-16 CN claimed
CN-102863326-A Preparation method of antiepileptic drug intermediate Changzhou pharmaceutical factory co ltd 2013-01-09 CN claimed
CN-102786436-A Method for synthesizing cyanoacetate ZHEJIANG JIURJIU CHEMICALS CO LTD 2012-11-21 CN claimed
WO-1999043650-A2 PROCESS(ES) FOR THE PREPARATION OF 6-TRIFLUOROMETHYL-INDOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-09-02 WO claimed

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-11827584-B2 Process for preparing cyanoacetates PCCA, DNPEP, ASNS ALDH1A1 2035/4885MAPK1 3202/4885L3MBTL1 4481/4885
US-20220315526-A1 PROCESS FOR PREPARING CYANOACETATES PCCA, ACMSD, AADAT ALDH1A1 595/4885MAPK1 1414/4885L3MBTL1 4424/4885
US-12351541-B2 Process for preparing cyanoacetates PCCA, CPS1, COASY ALDH1A1 1346/4885MAPK1 3012/4885L3MBTL1 4571/4885
US-11976024-B2 Process for preparing cyanoacetates PCCA, ACMSD, AADAT ALDH1A1 595/4885MAPK1 1414/4885L3MBTL1 4424/4885

“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.