SCHEMBL2769640

SCHEMBL2769640

COc1ccc(CCCc2cccc(OCC(=O)OC(C)(C)C)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
PPARA Q07869 4/20 0.49
PPARG P37231 2/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCB1 P08183 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL2768428 0.90 PPARA (0.48) MTNR1AMTNR1BPPARAPPARGALDH1A1
SCHEMBL23169841 0.87 PPARA (0.48) MTNR1AMTNR1BPPARAPPARGLMNA
SCHEMBL23170108 0.86 MTNR1A (0.49) MTNR1AMTNR1BPPARAPPARGLMNA
SCHEMBL23170040 0.86 PPARA (0.45) MTNR1AMTNR1BPPARAPPARGLMNA
SCHEMBL23170244 0.86 PPARA (0.45) MTNR1AMTNR1BPPARAPPARGALDH1A1
SCHEMBL23170090 0.86 PPARA (0.45) MTNR1AMTNR1BPPARAPPARGALDH1A1
SCHEMBL24846767 0.86 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1LMNAMAPT
SCHEMBL23169839 0.86 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1POLBLMNA
SCHEMBL2769998 0.86 PPARA (0.55) PPARAPPARGPOLBLMNAGAA
SCHEMBL23170042 0.85 PPARA (0.44) MTNR1AMTNR1BPPARAPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
EP-3030556-B1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2019-10-30 EP disclosed
US-20150168420-A1 BIOORTHOGONAL CHEMICAL INDUCERS OF REVERSIBLE DIMERIZATION FOR CONTROL OF PROTEIN FUNCTION IN CELLS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-06-18 US disclosed
EP-2794566-A1 PIPECOLATE-DIKETOAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-10-29 EP disclosed
EP-2667196-A1 Bioorthogonal chemical inducers of reversible dimerization for control of protein interactions in cells Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-11-27 EP disclosed
WO-2013091900-A1 PIPECOLATE-DIKETOAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-06-27 WO disclosed
EP-2607352-A1 Pipecolate-diketoamides for treatment of psychiatric disorders Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-06-26 EP disclosed
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
EP-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP disclosed
US-20040006233-A1 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030036654-A1 Synthetic multimerizing agents HOLT DENNIS A (US) 2003-02-20 US disclosed
US-20020161240-A1 Synthetic multimerizing agents ARIAD GENE THERAPEUTICS, INC. 2002-10-31 US disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6133456-A DIMERS OF THE MACROCYCLIC NATURAL PRODUCT, FK506, COVALENTLY ATTACHED TO EACH OTHER VIA A SYNTHETIC LINKER MOIETY ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-17 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 (6 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-20020161240-A1 Synthetic multimerizing agents SSB, F13B, LCP2 MTNR1A 1891/4885MTNR1B 1237/4885PPARA 4812/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 MTNR1A 2047/4885MTNR1B 1109/4885PPARA 4156/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 MTNR1A 1986/4885MTNR1B 1083/4885PPARA 4253/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR MTNR1A 4239/4885MTNR1B 3697/4885PPARA 2475/4885
US-20150168420-A1 BIOORTHOGONAL CHEMICAL INDUCERS OF REVERSIBLE DIMERIZATION FOR CONTROL OF PROTEIN FUNCTION IN CELLS FKBP2, FKBP3, FKBP14 MTNR1A 3135/4885MTNR1B 3218/4885PPARA 4403/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 MTNR1A 1592/4885MTNR1B 712/4885PPARA 4414/4885

“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.