SCHEMBL10089424

SCHEMBL10089424

CCC(CC)(CO)COCC(CC)(CC)CO

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL16353272 0.97 THRB (0.39) THRBALDH1A1TSHR
SCHEMBL7113288 0.97 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL45482 0.94 THRB (0.36) THRBALDH1A1TSHRTP53CYP3A4
SCHEMBL17460096 0.92 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL21291961 0.92 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL4396584 0.92 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL17460095 0.92 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL13616508 0.92 THRB (0.35) THRBALDH1A1TSHR
SCHEMBL15856920 0.90 THRB (0.32) THRBTSHRMAPK1
SCHEMBL12191395 0.89 THRB (0.34) THRB

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
WO-2012027717-A2 FLOURESCENCE LABELING REAGENTS AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-03-01 WO disclosed
US-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR ESPERION THERAPEUTICS, INC. 2010-10-07 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 (1 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-20100256209-A1 COMPOSITIONS COMPRISING ETHER COMPOUNDS AND PHARMACEUTICAL USES THEREFOR GPR119, ECHS1, PNLIP THRB 2773/4885ALDH1A1 2677/4885TSHR 2878/4885

“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.