SCHEMBL21623913

SCHEMBL21623913

C=C(C)C(=O)NCCCCNC(=O)CC#N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.55
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP2 P42575 1/20 0.34
FAAH O00519 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
NAAA Q02083 1/20 0.33
PAOX Q6QHF9 2/20 0.32

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
SCHEMBL21315459 0.93 MCL1 (0.58) MCL1KMT2AKDM4ELMNAMAPT
SCHEMBL7620131 0.83 MCL1 (0.68) MCL1MEN1KMT2AKDM4EMAPK1
SCHEMBL9234135 0.81 MCL1 (0.65) MCL1MEN1KMT2AKDM4EMAPK1
SCHEMBL907569 0.81 KDM4E (0.52) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL1681786 0.80 KDM4E (0.35) MCL1KDM4EMAPK1HIF1AALDH1A1
SCHEMBL8775499 0.79 KDM4E (0.56) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL8775294 0.79 KDM4E (0.56) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL8775297 0.79 KDM4E (0.56) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL59429 0.79 KDM4E (0.56) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL8775285 0.79 KDM4E (0.56) MEN1KMT2AKDM4EMAPK1HIF1A

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 10 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
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 1460/4885MEN1 2675/4885KMT2A 2054/4885
US-11912648-B2 Method for preparing C-H acidic (meth)acrylates MMAB, ACR, CFH MCL1 527/4885MEN1 413/4885KMT2A 979/4885

“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.