SCHEMBL24632162

SCHEMBL24632162

CN(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 4/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
AOC3 Q16853 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX5 P09917 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1674458 0.85 TSHR (0.52) TSHRALDH1A1IDO1AGXTAOC3
SCHEMBL3855741 0.80 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL14617699 0.79 TSHR (0.46) TSHRALDH1A1IDO1AGXTAOC3
SCHEMBL21484985 0.79 TSHR (0.46) TSHRALDH1A1IDO1AGXTAOC3
Hydrochloric Acid SCHEMBL28441325 0.79 AGXT (0.46) TSHRALDH1A1IDO1AGXTAOC3
SCHEMBL10477328 0.79 TSHR (0.54) TSHRALDH1A1IDO1AGXTAOC3
Trimethylammonium SCHEMBL27954231 0.77 TSHR (0.79) TSHRALDH1A1IDO1AGXTAOC3
SCHEMBL5317698 0.76 TSHR (0.48) TSHRALDH1A1IDO1AGXTAOC3
SCHEMBL10627501 0.76 ALDH1A1 (0.52) TSHRALDH1A1MAPTMAPK1TDP1
SCHEMBL23964518 0.76 TAAR1 (0.52) TSHRALDH1A1TAAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267380-A1 Glycopeptides Increasing Lipid Synthesis TFCHEM (FR) 2022-08-25 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-20220267380-A1 Glycopeptides Increasing Lipid Synthesis CERT1, GALR3, MC1R TSHR 122/4885ALDH1A1 3517/4885IDO1 790/4885

“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.