SCHEMBL22639913

SCHEMBL22639913

Cc1ccc(OCC(O)CNC(C)(C)CO)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.52
▸ GLA P06280 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ SLC2A1 P11166 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ACHE P22303 1/20 0.49
▸ CYP2D6 P10635 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ VDR P11473 5/20 0.45
▸ AR P10275 4/20 0.45
▸ ADRB2 P07550 3/20 0.45
▸ ADRB1 P08588 1/20 0.45

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
SCHEMBL22639837 1.00 PKM (0.52) PKMGLAMAPTSLC2A1L3MBTL1
SCHEMBL12215557 0.85 SLC2A1 (0.57) PKMGLAMAPTSLC2A1L3MBTL1
SCHEMBL11223419 0.84 ADRB2 (0.62) MAPTCYP2D6MEN1KMT2AADRB2
SCHEMBL11743303 0.82 HTR1A (0.57) PKMSLC2A1L3MBTL1CYP2D6MEN1
SCHEMBL22639720 0.81 PKM (0.63) PKMSLC2A1CYP2D6MEN1KMT2A
SCHEMBL22639888 0.81 PKM (0.63) PKMSLC2A1CYP2D6MEN1KMT2A
SCHEMBL11121575 0.80 KMT2A (0.61) MAPTMEN1KMT2AVDRAR
SCHEMBL11865182 0.78 L3MBTL1 (0.67) GLAMAPTSLC2A1L3MBTL1ACHE
SCHEMBL12215556 0.77 ACHE (0.74) GLAMAPTL3MBTL1ACHECYP2D6
SCHEMBL11489571 0.77 CYP2D6 (0.71) MAPTCYP2D6MEN1KMT2A

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 — — 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 PKM 846/4885GLA 1517/4885MAPT 168/4885

“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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