SCHEMBL7282196

SCHEMBL7282196

COCCNCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA14 Q9ULX7 1/20 0.38
DGAT1 O75907 1/20 0.36
PTPRC P08575 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
P2RY13 Q9BPV8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8610137 0.89 MAOA (0.44) ALDH1A1TSHRMAOAMAOBKDM4E
Hydrochloric Acid SCHEMBL9234601 0.87 MAOA (0.43) ALDH1A1TSHRMAOAMAOBKDM4E
SCHEMBL6535041 0.86 MAOA (0.44) MAOAMAOBTDP1CA12CA2
SCHEMBL16256490 0.85 ALDH1A1 (0.41) ALDH1A1TSHRATMMAOAMAOB
SCHEMBL9612246 0.84 MAOA (0.43) MAOAMAOBTDP1CA12CA2
SCHEMBL3624896 0.83 KDM4E (0.37) ALDH1A1TSHRATMKDM4ETDP1
SCHEMBL20191164 0.81 MAOA (0.37) ALDH1A1TSHRMAOAMAOBKDM4E
SCHEMBL12889090 0.81 TSHR (0.49) ALDH1A1TSHRATMKDM4ETDP1
SCHEMBL783009 0.81 CA2 (0.41) MAOAMAOBTDP1CA12CA2
SCHEMBL5884644 0.81 TSHR (0.44) ALDH1A1TSHRMAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
CN-110035996-B Novel highly relaxant gadolinium chelates for magnetic resonance imaging 拜耳医药股份公司 2022-08-09 CN disclosed
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-22 US disclosed
US-20210145771-A1 N-(3-(2-(4-CHLOROPHENOXY)ACETAMIDO)BICYCLO[1.1.1] PENTAN-1-YL)-2-CYCLOBUTANE-1- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-20 US disclosed
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US disclosed
US-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-10 US disclosed
EP-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP disclosed
EP-3544964-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma Aktiengesellschaft (DE) 2019-10-02 EP disclosed
CN-110035996-A Novel high relaxation gadolinium chelate compound for magnetic resonance imaging 拜耳医药股份公司 2019-07-19 CN disclosed
WO-2018096082-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 WO disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP disclosed
US-4117127-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-09-26 US disclosed
US-4101653-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 US disclosed
US-4097472-A INHIBITION AND SUPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-27 US disclosed
US-4097591-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-27 US disclosed
US-4093712-A ANTITHROMBOGENIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-06 US disclosed
US-4073913-A INHIBITION AND SUPPRESSION OF THROMBIN MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US disclosed
US-4073891-A ANTITHROMBOGENIC MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US disclosed
US-4072743-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US disclosed
US-4066773-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-03 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 (5 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-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885TSHR 815/4885ATM 3873/4885
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885TSHR 815/4885ATM 3873/4885
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885TSHR 815/4885ATM 3873/4885
US-20210145771-A1 N-(3-(2-(4-CHLOROPHENOXY)ACETAMIDO)BICYCLO[1.1.1] PENTAN-1-YL)-2-CYCLOBUTANE-1- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES ATF4, EIF2B1, EIF4A1 ALDH1A1 1890/4885TSHR 2530/4885ATM 3356/4885
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 ALDH1A1 4666/4885TSHR 815/4885ATM 3873/4885

“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.