SCHEMBL14865749

SCHEMBL14865749

CCC(C)OCC(C)OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 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
SCHEMBL93383 0.92
Benzene SCHEMBL8045689 0.86 TDP1 (0.41) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL475462 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL9679147 0.85 TSHR (0.38) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL17358693 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL19410608 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL1094765 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL19410575 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL1095965 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL19410597 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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-8530559-B2 Composite of organic compound and copper nanoparticles, composite of organic compound and copper(I) oxide nanoparticles, and methods for producing the composites DIC CORPORATION (JP) 2013-09-10 US disclosed
US-20130095320-A1 COMPOSITE OF ORGANIC COMPOUND AND COPPER NANOPARTICLES, COMPOSITE OF ORGANIC COMPOUND AND COPPER(I) OXIDE NANOPARTICLES, AND METHODS FOR PRODUCING THE COMPOSITES DIC CORPORATION (JP) 2013-04-18 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-20130095320-A1 COMPOSITE OF ORGANIC COMPOUND AND COPPER NANOPARTICLES, COMPOSITE OF ORGANIC COMPOUND AND COPPER(I) OXIDE NANOPARTICLES, AND METHODS FOR PRODUCING THE COMPOSITES AOC3, AOC2, CORO1C ALDH1A1 924/4885SMN1; SMN2 1080/4885TDP1 4011/4885

“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.