SCHEMBL14865755

SCHEMBL14865755

CCCOCCOCC(O)CSC(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CHRM1 P11229 1/20 0.42
ADORA1 P30542 1/20 0.42
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL14865765 0.80 HSD17B10 (0.42) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL14865763 0.77 CYP1A2 (0.41) ALDH1A1CYP3A4TDP1HSD17B10MGAM
SCHEMBL14865767 0.71 HSD17B10 (0.44) ALDH1A1CYP3A4ALOX15TDP1HSD17B10
SCHEMBL28162657 0.70 USP2 (0.47) ALDH1A1CYP3A4ALOX15HSD17B10MGAM
SCHEMBL20239635 0.69 ALDH1A1 (0.57) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL715975 0.69 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL11172402 0.68 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL3677733 0.67 MGAM (0.44) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL3676097 0.67 MGAM (0.44) ALDH1A1CYP3A4ALOX15TDP1TSHR
SCHEMBL3676100 0.67 MGAM (0.44) ALDH1A1CYP3A4ALOX15TDP1TSHR

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 924/4885CYP3A4 981/4885ALOX15 674/4885

“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.