SCHEMBL528085

SCHEMBL528085

C=CCC(C)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 4/20 0.33
TET2 Q6N021 1/20 0.33
LMNA P02545 1/20 0.32
ACLY P53396 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ABCC4 O15439 1/20 0.30

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
SCHEMBL10435760 0.86 HTT (0.43) TSHRALDH1A1HTTCYP2D6CYP2C19
SCHEMBL6450503 0.83 MAPT (0.38) TSHRALDH1A1HTTCYP2C19MAPT
SCHEMBL9178440 0.83 ALDH1A1 (0.35) TSHRALDH1A1HTTTET2
SCHEMBL9621971 0.80
SCHEMBL3181065 0.80 MMP8 (0.41) TSHRALDH1A1HTTLMNAMEN1
SCHEMBL28097400 0.80 TSHR (0.36) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL293485 0.79
SCHEMBL11812638 0.79 TSHR (0.46) TSHRALDH1A1HTTCYP2D6CYP2C19
SCHEMBL30513348 0.77
SCHEMBL3256852 0.77

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118909171-A Solid catalyst component for olefin polymerization reaction, preparation method and application thereof 中国石油化工股份有限公司 2024-11-08 CN claimed
CN-106608939-B The preparation method of catalytic component for olefinic polymerization 中国石油化工股份有限公司 2019-08-20 CN claimed
CN-106608940-B The preparation method of catalytic component for olefinic polymerization 中国石油化工股份有限公司 2019-06-28 CN claimed
CN-104558290-B One kind being used for catalyst component for olefin polymerization and catalyst 中国石油化工股份有限公司 2018-11-02 CN claimed
CN-104558291-B One kind is used for olefin polymerization catalysis preparation method 中国石油化工股份有限公司 2017-05-31 CN claimed
CN-104558292-B One kind is used for olefin polymerization catalysis preparation method 中国石油化工股份有限公司 2017-05-31 CN claimed
CN-106608939-A Preparation method of catalyst component for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN claimed
CN-106608940-A Preparation method for catalyst components used for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN claimed
CN-104558293-B Catalyst component for olefin polymerization and catalyst 中国石油化工股份有限公司 2017-02-15 CN claimed
CN-104558293-A Catalyst component for olefin polymerization and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558292-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558291-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558290-A Components of catalyst for polymerization of olefins and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-106608939-B The preparation method of catalytic component for olefinic polymerization 中国石油化工股份有限公司 2019-08-20 CN disclosed
CN-106608940-B The preparation method of catalytic component for olefinic polymerization 中国石油化工股份有限公司 2019-06-28 CN disclosed
CN-109678997-A Catalytic component and catalyst and pre-polymerized catalyst and olefine polymerizing process for olefinic polymerization 中国石油化工股份有限公司 2019-04-26 CN disclosed
US-20120029223-A1 METHOD FOR PRODUCTION OF SUBSTITUTED ALKYL MALONIC ESTERS AND DERIVATIVES THEREOF APOSENSE LTD. (IL) 2012-02-02 US disclosed
US-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 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 (1 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-20120029223-A1 METHOD FOR PRODUCTION OF SUBSTITUTED ALKYL MALONIC ESTERS AND DERIVATIVES THEREOF ME1, MAL2, ME3 TSHR 3057/4885ALDH1A1 691/4885HTT 2941/4885

“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.