SCHEMBL22639907

SCHEMBL22639907

Cc1ccc(OCC(O)CNC(C)(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.74
▸ HTT P42858 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ MAPT P10636 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ NPC1 O15118 1/20 0.55
▸ ADRB2 P07550 2/20 0.54
▸ ADRB1 P08588 2/20 0.54
▸ ADRB3 P13945 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ EPHX2 P34913 1/20 0.54

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
SCHEMBL22640159 1.00 CYP2D6 (0.74) CYP2D6HTTMEN1KMT2AMAPT
SCHEMBL10790889 0.87 CYP2D6 (0.74) CYP2D6HTTMEN1KMT2AADRB2
SCHEMBL22639888 0.86 PKM (0.63) CYP2D6HTTMEN1KMT2ANPC1
SCHEMBL22639720 0.86 PKM (0.63) CYP2D6HTTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL11226403 0.86 CYP2D6 (0.72) CYP2D6HTTMEN1KMT2AMAPT
SCHEMBL6643064 0.86 CYP2D6 (0.72) CYP2D6HTTMEN1KMT2AMAPT
SCHEMBL11346808 0.86 CYP2D6 (0.72) CYP2D6HTTMEN1KMT2AMAPT
SCHEMBL10774437 0.86 CYP2D6 (0.72) CYP2D6HTTMEN1KMT2AMAPT
SCHEMBL22957897 0.85 CYP2D6 (1.00) CYP2D6HTTMEN1KMT2AMAPT
SCHEMBL11762303 0.83 CYP2D6 (0.68) CYP2D6HTTMEN1KMT2AADRB2

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 CYP2D6 3360/4885HTT 488/4885MEN1 935/4885

“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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