SCHEMBL21623909

SCHEMBL21623909

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.48
ALDH1A1 P00352 6/20 0.42
GAA P10253 3/20 0.42
ACACB O00763 1/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21623911 0.82 GAA (0.49) MCL1ALDH1A1GAAACACBPOLB
SCHEMBL12703485 0.82 MCL1 (0.52) MCL1ALDH1A1GAAACACBPOLB
SCHEMBL6317467 0.80 MCL1 (0.52) MCL1ALDH1A1GAAACACBKDM4E
Water SCHEMBL28226325 0.73 MMP1 (0.39) ALDH1A1TDP1KDM4EMMP1MMP2
SCHEMBL9202834 0.73 MCL1 (0.58) MCL1ALDH1A1GAAPOLBTDP1
SCHEMBL21623914 0.71
SCHEMBL2423255 0.70
SCHEMBL28138570 0.70
SCHEMBL6321739 0.69 MCL1 (0.54) MCL1ALDH1A1GAAACACBPOLB
SCHEMBL6212435 0.69 MCL1 (0.54) MCL1ALDH1A1GAAACACBPOLB

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-2020016071-A1 METHOD FOR PREPARING C-H ACIDIC (METH)ACRYLATES EVONIK OPERATIONS GMBH (DE) 2020-01-23 WO disclosed
WO-2020016037-A1 CH-ACIDIC METHACRYLIC ESTERS FOR THE PREPARATION OF AQUEOUS POLYMER DISPERSIONS 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 MCL1 1460/4885ALDH1A1 354/4885GAA 1370/4885
US-11912648-B2 Method for preparing C-H acidic (meth)acrylates MMAB, ACR, CFH MCL1 527/4885ALDH1A1 302/4885GAA 1234/4885

“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.