SCHEMBL21689936

SCHEMBL21689936

CC(C)(C)CC/C=C/C(=O)OCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.37
HCAR2 Q8TDS4 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL12710484 0.85 MAPT (0.58) MAPTALDH1A1HCAR2ATM
SCHEMBL8085681 0.81 HCAR2 (0.44) MAPTALDH1A1HCAR2ATM
SCHEMBL5611325 0.81 HCAR2 (0.44) MAPTALDH1A1HCAR2ATM
SCHEMBL5611334 0.81 HCAR2 (0.44) MAPTALDH1A1HCAR2ATM
SCHEMBL13433290 0.80 HCAR2 (0.48) MAPTALDH1A1HCAR2
SCHEMBL17522209 0.76 MAPT (0.33) MAPTHCAR2ATM
SCHEMBL10943665 0.75 GSTP1 (0.38) ALDH1A1HCAR2ATM
SCHEMBL9004563 0.75 GSTP1 (0.38) ALDH1A1HCAR2ATM
SCHEMBL15794884 0.75 HCAR2 (0.35) ALDH1A1HCAR2ATM
SCHEMBL24004712 0.74 MAPT (0.40) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US 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 (3 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 MAPT 3230/4885ALDH1A1 4678/4885HCAR2 1382/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR MAPT 3230/4885ALDH1A1 4678/4885HCAR2 1382/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR MAPT 3230/4885ALDH1A1 4678/4885HCAR2 1382/4885

“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.