SCHEMBL5595387

SCHEMBL5595387

C=C(COCCOCCOCCO)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 5/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
LMNA P02545 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
TP53 P04637 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
SCHEMBL1831359 1.00 THRB (0.42) THRBALDH1A1KMT2AMEN1TSHR
SCHEMBL1831709 0.96 ALDH1A1 (0.43) THRBALDH1A1KMT2ATSHRMAPT
SCHEMBL12297123 0.93 THRB (0.47) THRBALDH1A1KMT2AMEN1TSHR
SCHEMBL23894805 0.91 THRB (0.48) THRBALDH1A1KMT2AMEN1TSHR
SCHEMBL6895196 0.88 THRB (0.53) THRBALDH1A1KMT2AMEN1TSHR
SCHEMBL16654664 0.87 THRB (0.55) THRBALDH1A1TSHRMAPTHSD17B10
SCHEMBL6895187 0.86 THRB (0.43) THRBALDH1A1KMT2AMEN1TSHR
Di(Hydroxyethyl)Ether SCHEMBL2799781 0.85 ALDH1A1 (0.43) THRBALDH1A1KMT2AMEN1TSHR
SCHEMBL7622066 0.85 TSHR (0.50) THRBALDH1A1KMT2AMEN1TSHR
SCHEMBL17636413 0.84 THRB (0.43) THRBALDH1A1KMT2AMEN1TSHR

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-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 US disclosed
WO-2005063778-A1 ONE-PART SELF-ETCHING, SELF-PRIMING DENTAL ADHESIVE COMPOSITION DENTSPLY DETREY GMBH (DE) 2005-07-14 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 (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-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition CAD, ASIC1, PDAP1 THRB 3469/4885ALDH1A1 1101/4885KMT2A 2210/4885

“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.