SCHEMBL9908330

SCHEMBL9908330

COC(=O)CC(C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
HSD17B10 Q99714 3/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
TET2 Q6N021 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL5081302 0.89 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL5077875 0.89 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL9153932 0.82 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL14763918 0.82 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL29074342 0.81 ALDH1A1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL29205847 0.80 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL28718238 0.80 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL10201330 0.80 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL6569030 0.79
SCHEMBL3389649 0.78 SMN1; SMN2 (0.48) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114308129-B Catalyst composition for olefin alkoxycarbonylation and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-12-06 CN disclosed
CN-114308129-A Catalyst composition for olefin alkoxycarbonylation and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-04-12 CN disclosed
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
US-10696702-B2 Propyl-bridged diphosphine ligands for alkoxycarbonylation EVONIK OPERATIONS GMBH (DE) 2020-06-30 US disclosed
CN-106432365-B Ferrocenyl compounds and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds 赢创运营有限公司 2020-04-07 CN disclosed
US-20190248817-A1 PROPYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION EVONIK DEGUSSA GMBH (DE) 2019-08-15 US disclosed
US-10077228-B2 Ferrocene-based compounds and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds EVONIK DEGUSSA GMBH (DE) 2018-09-18 US disclosed
EP-3121184-B1 BENZENE-BASED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION EVONIK DEGUSSA GMBH (DE) 2018-09-12 EP disclosed
EP-3121186-B1 FERROCENE-BASED COMPOUNDS AND PALLADIUM CATALYSTS BASED ON SAME FOR THE ALKOXYCARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2018-09-12 EP disclosed
US-9884844-B2 Heterocyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-8354419-B2 Benzimidazole analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-15 US disclosed
US-8198016-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20120027803-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED 2011-07-14 US disclosed
US-20090286188-A1 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US 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 (9 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-20120027803-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, CETP, APOB TSHR 2854/4885HSD17B10 295/4885MGAM 2499/4885
US-20190248817-A1 PROPYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION PPIP5K2, MVD, PNKP TSHR 4036/4885HSD17B10 3945/4885MGAM 4650/4885
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 TSHR 458/4885HSD17B10 2559/4885MGAM 3903/4885
US-10077228-B2 Ferrocene-based compounds and palladium catalysts based thereon for the alkoxycarbonylation of ethylenically unsaturated compounds C5, C1S, ALOX12 TSHR 531/4885HSD17B10 301/4885MGAM 4833/4885
US-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 TSHR 2989/4885HSD17B10 200/4885MGAM 1443/4885
US-10696702-B2 Propyl-bridged diphosphine ligands for alkoxycarbonylation PPIP5K2, MVD, PNKP TSHR 4036/4885HSD17B10 3945/4885MGAM 4650/4885
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 TSHR 1952/4885HSD17B10 3405/4885MGAM 2456/4885
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, C1QBP, RRP1B TSHR 1605/4885HSD17B10 3392/4885MGAM 3038/4885
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 TSHR 1952/4885HSD17B10 3405/4885MGAM 2456/4885

“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.