SCHEMBL22224176

SCHEMBL22224176

CC(C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TYR P14679 6/20 0.39

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
SCHEMBL26448835 0.90 LGALS8 (0.46) ALDH1A1THRBCA1CA2CA9
SCHEMBL12440685 0.90 LGALS8 (0.42) ALDH1A1THRBCA1CA2CA9
SCHEMBL19770588 0.87 L3MBTL1 (0.49) ALDH1A1THRBCA1CA2CA9
SCHEMBL10388282 0.87 L3MBTL1 (0.49) ALDH1A1THRBCA1CA2CA9
SCHEMBL16678815 0.87 L3MBTL1 (0.49) ALDH1A1THRBCA1CA2CA9
SCHEMBL24943577 0.87 L3MBTL1 (0.49) ALDH1A1THRBCA1CA2CA9
SCHEMBL14690973 0.87 L3MBTL1 (0.49) ALDH1A1THRBCA1CA2CA9
SCHEMBL20027477 0.87 L3MBTL1 (0.49) ALDH1A1THRBCA1CA2CA9
SCHEMBL10388284 0.87 L3MBTL1 (0.49) ALDH1A1THRBCA1CA2CA9
SCHEMBL14690893 0.87 L3MBTL1 (0.49) ALDH1A1THRBCA1CA2CA9

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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 — — US disclosed
WO-2020146541-A2 TRACELESS LINKERS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2020-07-16 — — 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-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R ALDH1A1 3778/4885THRB 195/4885CA1 4523/4885

“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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