SCHEMBL22639882

SCHEMBL22639882

Cc1cccc(OCC(O)CN2CCCC2)c1C

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
ABCB1 P08183 8/20 0.63
ALDH1A1 P00352 2/20 0.62
LDHA P00338 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
ACE2 Q9BYF1 1/20 0.58
KDM4E B2RXH2 1/20 0.57
ATM Q13315 1/20 0.56

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
SCHEMBL22639884 1.00 LMNA (0.70) LMNAKMT2AMEN1SMN1; SMN2ABCB1
SCHEMBL22639821 0.88 ABCB1 (0.67) LMNAKMT2AMEN1SMN1; SMN2ABCB1
SCHEMBL16392428 0.88 ABCB1 (0.67) LMNAKMT2AMEN1SMN1; SMN2ABCB1
SCHEMBL10991486 0.83 GAA (0.68) LMNAKMT2AMEN1SMN1; SMN2ABCB1
SCHEMBL10982308 0.83 GAA (0.68) LMNAKMT2AMEN1SMN1; SMN2ABCB1
SCHEMBL7600203 0.82 KMT2A (1.00) LMNAKMT2AMEN1SMN1; SMN2ABCB1
SCHEMBL16938190 0.79 ABCB1 (0.68) LMNAKMT2AMEN1SMN1; SMN2ABCB1
SCHEMBL22640119 0.78 CYP1A2 (0.79) LMNAKMT2AMEN1ABCB1ALDH1A1
SCHEMBL11538237 0.78 CYP1A2 (0.79) LMNAKMT2AMEN1ABCB1ALDH1A1
SCHEMBL31510212 0.78 KMT2A (0.89) LMNAKMT2AMEN1SMN1; SMN2ABCB1

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 LMNA 769/4885KMT2A 4613/4885MEN1 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.