SCHEMBL3944510

SCHEMBL3944510

O=C(OC[C@]1(OC(=O)c2ccccc2)O[C@H](CF)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ LGALS9 O00182 1/20 0.37
▸ LGALS1 P09382 1/20 0.37
▸ LGALS3 P17931 1/20 0.37
▸ LGALS7; LGALS7B P47929 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ABCB1 P08183 8/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3944507 1.00 MAPT (0.44) MAPTLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14397682 1.00 MAPT (0.44) MAPTLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL10425581 0.90 MAPT (0.55) MAPTLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL26600928 0.84 MAPT (0.40) MAPTLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL9815624 0.77 LGALS3 (0.44) MAPTLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL9815564 0.76 MAPT (0.41) MAPTLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14110281 0.76 MAPT (0.48) MAPTLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14110284 0.76 MAPT (0.48) MAPTLGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL14679917 0.75 MAPT (0.50) MAPTALDH1A1KMT2APOLBMEN1
SCHEMBL14680922 0.75 MAPT (0.50) MAPTALDH1A1KMT2APOLBMEN1

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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 — — US disclosed
EP-2010553-A1 SUBSTITUTED ADENINES AND THE USES THEREOF AstraZeneca AB (SE) 2009-01-07 — — EP disclosed
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 — — 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 MAPT 4402/4885LGALS9 1280/4885LGALS1 1197/4885

“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.

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