SCHEMBL23913397

SCHEMBL23913397

CCC(C)COC(=O)CC(=O)C(=O)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
POLB P06746 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR35 Q9HC97 1/20 0.31
CYP3A4 P08684 1/20 0.30
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL23913761 0.89 TSHR (0.52) TSHRMAPTSMN1; SMN2GAAPPARG
SCHEMBL28862575 0.81 TSHR (0.47) TSHRMAPTSMN1; SMN2GAAPPARG
SCHEMBL9239313 0.81 MGAM (0.50) TSHRMAPTSMN1; SMN2GAAMGAM
SCHEMBL5859548 0.81 MGAM (0.50) TSHRMAPTSMN1; SMN2GAAMGAM
SCHEMBL16044330 0.79 TSHR (0.58) TSHRMAPTSMN1; SMN2GAAPPARG
SCHEMBL28235998 0.77 TSHR (0.50) TSHRMAPTSMN1; SMN2GAAPPARG
SCHEMBL28733880 0.77 MAPT (0.50) TSHRMAPTSMN1; SMN2GAAMGAM
SCHEMBL5860234 0.76 MGAM (0.44) TSHRMAPTSMN1; SMN2GAAMGAM
SCHEMBL9239320 0.76 MAPT (0.47) TSHRMAPTSMN1; SMN2GAAMGAM
SCHEMBL9239317 0.76 MAPT (0.47) TSHRMAPTSMN1; SMN2GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332432-B2 Bioenergetically active esters for health and disease UNIVERSITY OF KANSAS (US) 2022-05-17 US disclosed
US-20210317067-A1 BIOENERGETICALLY ACTIVE ESTERS FOR HEALTH AND DISEASE UNIVERSITY OF KANSAS 2021-10-14 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 (2 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-11332432-B2 Bioenergetically active esters for health and disease PC, ME2, CPT2 TSHR 4404/4885MAPT 289/4885SMN1; SMN2 171/4885
US-20210317067-A1 BIOENERGETICALLY ACTIVE ESTERS FOR HEALTH AND DISEASE PC, ME2, CPT2 TSHR 4404/4885MAPT 289/4885SMN1; SMN2 171/4885

“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.