SCHEMBL21643376

SCHEMBL21643376

COc1ccc(CC[C@@H](O)c2ccc(F)c(OCC(=O)O)c2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ADRB2 P07550 2/20 0.42
LDHA P00338 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC22A1 O15245 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL21643379 1.00 STAT3 (0.47) STAT3BCHEACHEALDH1A1KDM4E
SCHEMBL21690556 0.87 MTNR1A (0.44) STAT3BCHEACHEALDH1A1KDM4E
SCHEMBL23194203 0.87 MTNR1A (0.44) STAT3BCHEACHEALDH1A1KDM4E
SCHEMBL29730872 0.87 MTNR1A (0.44) STAT3BCHEACHEALDH1A1KDM4E
SCHEMBL1775476 0.84 STAT3 (0.51) STAT3ALDH1A1KDM4EADRB2LDHA
SCHEMBL21643312 0.82 STAT3 (0.42) STAT3BCHEACHEALDH1A1KDM4E
SCHEMBL21643310 0.82 STAT3 (0.42) STAT3BCHEACHEALDH1A1KDM4E
SCHEMBL21643438 0.82 FKBP1A (0.48) STAT3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21643436 0.82 FKBP1A (0.48) STAT3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21643523 0.82 STAT3 (0.46) STAT3SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-07-18 US disclosed
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-04-02 US disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US 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-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR STAT3 2683/4885BCHE 4268/4885ACHE 4884/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR STAT3 2683/4885BCHE 4268/4885ACHE 4884/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR STAT3 2683/4885BCHE 4268/4885ACHE 4884/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR STAT3 2683/4885BCHE 4268/4885ACHE 4884/4885
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR STAT3 2683/4885BCHE 4268/4885ACHE 4884/4885
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, MTOR, FKBP14 STAT3 2791/4885BCHE 4284/4885ACHE 4883/4885

“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.