SCHEMBL21623912

SCHEMBL21623912

CCCCCCNNC(=O)CC#N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HDAC1 Q13547 4/20 0.43
HDAC3 O15379 4/20 0.43
HDAC2 Q92769 3/20 0.43
CASP2 P42575 1/20 0.43
EPHX1 P07099 6/20 0.42
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAAA Q02083 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL17728313 0.98 MCL1 (0.53) MCL1ALDH1A1GAAHDAC1HDAC3
SCHEMBL21623910 0.93 MCL1 (0.55) MCL1ALDH1A1GAAHDAC1HDAC3
SCHEMBL1958608 0.81 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1962964 0.81 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1960367 0.81 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1962966 0.81 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL6320829 0.81 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1962363 0.81 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL3394896 0.81 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20
SCHEMBL1961150 0.81 MCL1 (0.71) MCL1CASP2EPHX1NAAAZDHHC20

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.