SCHEMBL4070149

SCHEMBL4070149

CCOCC(OCC)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31
PRKCA P17252 2/20 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
SCHEMBL4400024 0.86 ALDH1A1 (0.32) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL11124575 0.83 ALDH1A1 (0.42) TSHRALDH1A1PRKCA
SCHEMBL2802408 0.83 ALDH1A1 (0.42) TSHRALDH1A1PRKCA
SCHEMBL861924 0.83 ALDH1A1 (0.36) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL11428709 0.83 TDP1 (0.47) TSHRALDH1A1LMNAHSD17B10TDP1
Acetic Acid SCHEMBL10508445 0.83 ALDH1A1 (0.37) TSHRALDH1A1LMNAHSD17B10THRB
SCHEMBL27750573 0.81 THRB (0.46) TSHRALDH1A1THRB
SCHEMBL202380 0.80 ALDH1A1 (0.40) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL7709890 0.80 ALDH1A1 (0.40) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL3764178 0.80 THRB (0.30) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270549-B1 POLYMER-IMMOBILIZED ALPHA-IMINOESTER JAPAN SCIENCE & TECH AGENCY (JP) 2009-05-20 EP claimed
EP-1270549-B1 POLYMER-IMMOBILIZED ALPHA-IMINOESTER JAPAN SCIENCE & TECH AGENCY (JP) 2009-05-20 EP disclosed
US-6838527-B2 Polymer-immobilized α-iminoester JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-01-04 US disclosed
US-20030187147-A1 Polymer-immobilized alpha-iminoester JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-10-02 US disclosed
EP-1270549-A1 POLYMER-IMMOBILIZED ALPHA-IMINOESTER Japan Science and Technology Corporation (JP) 2003-01-02 EP 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-20030187147-A1 Polymer-immobilized alpha-iminoester PADI1, ADH1A, IL4I1 TSHR 1962/4885ALDH1A1 24/4885LMNA 825/4885

“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.