SCHEMBL21623911

SCHEMBL21623911

CCCCC(C)NNC(=O)CC#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MCL1 Q07820 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 2/20 0.35
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC15A1 P46059 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ADH1B P00325 1/20 0.33

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
SCHEMBL21623909 0.82 MCL1 (0.48) GAAALDH1A1MCL1ACACBPOLB
SCHEMBL13884431 0.79 GAA (0.51) GAAALDH1A1MCL1CTSSCTSK
SCHEMBL6316330 0.78 ALDH1A1 (0.46) GAAALDH1A1MCL1TAS1R3TAS1R1
SCHEMBL6314858 0.77 ALDH1A1 (0.45) GAAALDH1A1MCL1TAS1R3TAS1R1
SCHEMBL12703485 0.76 MCL1 (0.52) GAAALDH1A1MCL1ACACBPOLB
SCHEMBL28849586 0.74 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2SLC15A1POLB
SCHEMBL9203026 0.74 CA2 (0.53) GAAALDH1A1MCL1CTSSCTSK
SCHEMBL21623910 0.72 MCL1 (0.55) GAAALDH1A1MCL1
SCHEMBL9195802 0.70 GAA (0.66) GAAALDH1A1MCL1MEN1FAAH
SCHEMBL17728313 0.70 MCL1 (0.53) GAAALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912648-B2 Method for preparing C-H acidic (meth)acrylates EVONIK OPERATIONS GMBH (DE) 2024-02-27 US disclosed
CN-112424161-B Process for preparing C-H acidic (meth) acrylic compounds 赢创运营有限公司 2023-08-04 CN disclosed
CN-112424163-B CH-acidic methacrylates for preparing aqueous polymer dispersions 赢创运营有限公司 2023-06-23 CN disclosed
US-20210332005-A1 CH-ACIDIC METHACRYLIC ESTERS FOR THE PREPARATION OF AQUEOUS POLYMER DISPERSIONS EVONIK OPERATIONS GMBH (DE) 2021-10-28 US disclosed
CN-112424163-A CH-acidic methacrylates for preparing aqueous polymer dispersions 赢创运营有限公司 2021-02-26 CN disclosed
CN-112424161-A Method for producing C-H acidic (meth) acrylic compounds 赢创运营有限公司 2021-02-26 CN disclosed
EP-3655387-B1 CH-ACIDIC METHACRYLIC ESTERS FOR THE PREPARATION OF AQUEOUS POLYMER DISPERSIONS EVONIK OPERATIONS GMBH (DE) 2020-11-25 EP disclosed
EP-3652151-B1 METHOD FOR PREPARING C-H ACIDIC (METH)ACRYLATES EVONIK OPERATIONS GMBH (DE) 2020-08-12 EP disclosed
EP-3655387-A1 CH-ACIDIC METHACRYLIC ESTERS FOR THE PREPARATION OF AQUEOUS POLYMER DISPERSIONS Evonik Operations GmbH (DE) 2020-05-27 EP disclosed
EP-3652151-A1 METHOD FOR PREPARING C-H ACIDIC (METH)ACRYLATES Evonik Operations GmbH (DE) 2020-05-20 EP disclosed
WO-2020016037-A1 CH-ACIDIC METHACRYLIC ESTERS FOR THE PREPARATION OF AQUEOUS POLYMER DISPERSIONS EVONIK OPERATIONS GMBH (DE) 2020-01-23 WO disclosed
WO-2020016071-A1 METHOD FOR PREPARING C-H ACIDIC (METH)ACRYLATES EVONIK OPERATIONS GMBH (DE) 2020-01-23 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-20210332005-A1 CH-ACIDIC METHACRYLIC ESTERS FOR THE PREPARATION OF AQUEOUS POLYMER DISPERSIONS MSN, ACMSD, CHMP4B GAA 1370/4885ALDH1A1 354/4885MCL1 1460/4885
US-11912648-B2 Method for preparing C-H acidic (meth)acrylates MMAB, ACR, CFH GAA 1234/4885ALDH1A1 302/4885MCL1 527/4885

“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.