SCHEMBL498990

SCHEMBL498990

COc1ccc(CCC(=O)c2cccc(O)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.56
CTNNB1 P35222 2/20 0.56
WNT3A P56704 2/20 0.56
CALM1 P0DP23 1/20 0.54
CYP19A1 P11511 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
NR1H4 Q96RI1 1/20 0.51
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL14922413 0.90 CYP19A1 (0.51) ACHECTNNB1WNT3ACALM1CYP19A1
SCHEMBL25246209 0.87 CYP19A1 (0.60) ACHECYP19A1KMT2AMEN1NPC1
SCHEMBL499794 0.86 LMNA (0.55) KMT2AMEN1LMNAMAPT
SCHEMBL6202582 0.86 ACHE (0.59) ACHECTNNB1WNT3AKMT2AMEN1
SCHEMBL19230479 0.85 ACHE (0.55) ACHECTNNB1WNT3ACYP19A1KMT2A
SCHEMBL29803233 0.85 ACHE (0.55) ACHECTNNB1WNT3ACYP19A1KMT2A
SCHEMBL14814530 0.85 MAPT (0.60) ACHECTNNB1WNT3AKMT2AMEN1
SCHEMBL14922414 0.82 LMNA (0.48) CTNNB1WNT3AKMT2AMEN1LMNA
SCHEMBL8403835 0.80 ALDH1A1 (0.50) ACHECTNNB1WNT3AKMT2AMEN1
SCHEMBL22463054 0.80 ALDH1A1 (0.50) ACHECTNNB1WNT3AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
EP-3875456-A1 HETERO-BIFUNCTIONAL PROTEOLYSIS-TARGETING CHIMERAS (PROTACS) FOR THE SELECTIVE DEGRADATION OF FK506-BINDING PROTEINS (FKBPS) Technische Universität Darmstadt (DE) 2021-09-08 EP disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
WO-2021067405-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 WO disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 WO disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
US-20200308144-A1 Multimeric piperidine derivatives BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2020-10-01 US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 US disclosed
EP-3030556-B1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2019-10-30 EP disclosed
EP-3030556-B1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2019-10-30 EP disclosed
US-20090162858-A1 Orthogonal chemical inducer of dimerization TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2009-06-25 US disclosed
EP-0776327-B1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS INC (US) 2005-07-06 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
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP disclosed
WO-1997031899-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERISING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO disclosed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR ACHE 4884/4885CTNNB1 4844/4885WNT3A 4143/4885
US-20020161240-A1 Synthetic multimerizing agents SSB, F13B, LCP2 ACHE 4848/4885CTNNB1 2896/4885WNT3A 4198/4885
US-20200308144-A1 Multimeric piperidine derivatives FKBP14, FKBP5, FKBP3 ACHE 4827/4885CTNNB1 1376/4885WNT3A 2081/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR ACHE 4884/4885CTNNB1 4844/4885WNT3A 4143/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 ACHE 4880/4885CTNNB1 4433/4885WNT3A 4781/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR ACHE 4884/4885CTNNB1 4844/4885WNT3A 4143/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR ACHE 4884/4885CTNNB1 4844/4885WNT3A 4143/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 ACHE 4878/4885CTNNB1 4323/4885WNT3A 4742/4885

“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.