SCHEMBL21313402

SCHEMBL21313402

CC(C)(C)C#N.CCOC(=O)CC(C(=O)OCC)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 3/20 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
Propionitrile SCHEMBL28226679 0.87 GAA (0.38) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL2454280 0.86 MGAM (0.46) ALDH1A1TSHRCYP3A4ALOX15TDP1
Ethane SCHEMBL28133876 0.84 MGAM (0.44) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL21313397 0.84 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28870965 0.81 MGAM (0.41) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28262631 0.80 ALDH1A1 (0.33) ALDH1A1TSHRCYP3A4ALOX15TDP1
Succinic Acid Diethyl Ester SCHEMBL28226662 0.80 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28226752 0.78 ALDH1A1 (0.34) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28226663 0.78 ALDH1A1 (0.32) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL21313358 0.78 CYP2D6 (0.45) ALDH1A1TSHRCYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964814-A Ziegler-Natta solid catalyst component, catalyst and application thereof 中国石油化工股份有限公司 2024-05-03 CN claimed
EP-3533776-B1 MAGNESIUM ALKOXIDE PARTICLE AND APPLICATION THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2023-09-27 EP claimed
CN-116023553-A Catalyst for olefin polymerization reaction, catalyst system and application 中国石油化工股份有限公司 2023-04-28 CN claimed
US-11332425-B2 Magnesium alkoxide particle and application thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-05-17 US claimed
US-20190270690-A1 MAGNESIUM ALKOXIDE PARTICLE AND APPLICATION THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-09-05 US claimed
EP-3533776-A1 MAGNESIUM ALKOXIDE PARTICLE AND APPLICATION THEREOF China Petroleum&Chemical Corporation (CN) 2019-09-04 EP claimed
CN-117964814-A Ziegler-Natta solid catalyst component, catalyst and application thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed
EP-3533776-B1 MAGNESIUM ALKOXIDE PARTICLE AND APPLICATION THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2023-09-27 EP disclosed
CN-116023553-A Catalyst for olefin polymerization reaction, catalyst system and application 中国石油化工股份有限公司 2023-04-28 CN disclosed
US-11332425-B2 Magnesium alkoxide particle and application thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-05-17 US disclosed
CN-110511302-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2020-10-23 CN disclosed
US-20190270690-A1 MAGNESIUM ALKOXIDE PARTICLE AND APPLICATION THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-09-05 US disclosed
EP-3533776-A1 MAGNESIUM ALKOXIDE PARTICLE AND APPLICATION THEREOF China Petroleum&Chemical Corporation (CN) 2019-09-04 EP 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-11332425-B2 Magnesium alkoxide particle and application thereof ADH1A, PYM1, ADH5 ALDH1A1 1669/4885TSHR 2021/4885CYP3A4 121/4885
US-20190270690-A1 MAGNESIUM ALKOXIDE PARTICLE AND APPLICATION THEREOF ADH1A, PYM1, ADH5 ALDH1A1 1669/4885TSHR 2021/4885CYP3A4 121/4885

“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.