SCHEMBL763067

SCHEMBL763067

CCNCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA2 P00918 2/20 0.38
DGAT1 O75907 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 1/20 0.36
PTPRC P08575 2/20 0.36
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
LATS1 O95835 1/20 0.33
VSIR Q9H7M9 1/20 0.33
CTSK P43235 4/20 0.33
CTSS P25774 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 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
SCHEMBL783009 0.88 CA2 (0.41) CA12CA14CA2DGAT1L3MBTL1
SCHEMBL22235058 0.88 MAOA (0.39) CA12CA14CA2DGAT1L3MBTL1
SCHEMBL6535041 0.84 MAOA (0.44) CA12CA14CA2DGAT1L3MBTL1
SCHEMBL5329667 0.84 CA12 (0.34) CA12CA14CA2DGAT1MAOA
SCHEMBL16558051 0.83 MAOA (0.41) CA12CA14CA2DGAT1L3MBTL1
SCHEMBL9612246 0.82 MAOA (0.43) CA12CA14CA2DGAT1L3MBTL1
SCHEMBL7433191 0.82 CA12 (0.50) CA12CA14CA2DGAT1MAOA
SCHEMBL4943130 0.81 CA2 (0.40) CA12CA14CA2DGAT1L3MBTL1
SCHEMBL7437449 0.81 GAA (0.48) CTSKMGAMGAASIMGAM2
SCHEMBL1841358 0.80 LATS1 (0.37) CA12CA14CA2DGAT1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-07-04 US disclosed
WO-2023244764-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-14 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230145336-A1 BRAF DEGRADERS C4 THERAPEUTICS, INC. (US) 2023-05-11 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
WO-2021127586-A1 PROTEIN TYROSINE PHOSPHATASE DEGRADERS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO disclosed
US-8138361-B2 C-10 carbamates of taxanes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-03-20 US disclosed
US-7947694-B2 Substituted pyrazolo[3,4-D]pyrimidines as cell cycle kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. 2010-11-11 US disclosed
US-20090306014-A1 C-10 CARBAMATES OF TAXANES ACIDOPHIL LLC (US) 2009-12-10 US disclosed
EP-1192133-B1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 EP disclosed
US-6593346-B2 Substituted 3-(piperidin-1-ylmethyl)cyclopentylamines, useful as modulators of the chemokine receptors CCR-5 and/or CC R-3. MERCK & CO. INC. 2003-07-15 US disclosed
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-08-29 US disclosed
EP-1192133-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-04-03 EP disclosed
US-6358979-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS MERCK & CO., INC. 2002-03-19 US disclosed
WO-2000076972-A1 N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 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 (8 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-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE FASN, FABP1, SCD CA12 3676/4885CA14 3999/4885CA2 4400/4885
US-20230145336-A1 BRAF DEGRADERS BRAF, NRAS, RAF1 CA12 4222/4885CA14 3977/4885CA2 4518/4885
US-11814369-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 CA12 194/4885CA14 183/4885CA2 81/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 CA12 4344/4885CA14 4398/4885CA2 4355/4885
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, EIF2AK2 CA12 2837/4885CA14 2348/4885CA2 2774/4885
US-20090306014-A1 C-10 CARBAMATES OF TAXANES CASP10, S100A10, ATXN10 CA12 107/4885CA14 173/4885CA2 1227/4885
US-20020120146-A1 N-cyclopentyl modulators of chemokine receptor activity CCR1, CCR3, CCR5 CA12 3645/4885CA14 2349/4885CA2 2484/4885
US-20210221798-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 CA12 194/4885CA14 183/4885CA2 81/4885

“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.