SCHEMBL5114730

SCHEMBL5114730

COc1ccc(CC(C)(C)Br)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.61
ALDH1A1 P00352 2/20 0.56
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
PPARA Q07869 1/20 0.56
CYP19A1 P11511 1/20 0.55
ATM Q13315 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
AOC3 Q16853 1/20 0.47
LDHA P00338 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
STAT3 P40763 1/20 0.46
MAPT P10636 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
SCHEMBL74008 0.86 CA2 (0.63) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL29944152 0.85 CA2 (0.57) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL11220193 0.82 CA2 (0.59) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL10730478 0.82 CA2 (0.59) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL5114907 0.82 CA2 (0.59) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL11258047 0.82 CA2 (0.59) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL16974124 0.82 CA2 (0.53) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL13144840 0.81 CA2 (0.57) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL13509578 0.81 CA2 (0.57) CA2ALDH1A1PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL11329627 0.81 CA2 (0.57) CA2ALDH1A1PPARGPPARDPPARA

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-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-7312360-B2 Substituted hydroxyethylamines ELAN PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-20040044072-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2004-03-04 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 (2 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-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME CA2 3235/4885ALDH1A1 2044/4885PPARG 2194/4885
US-20040044072-A1 Substituted hydroxyethylamines BACE1, BACE2, PSEN1 CA2 3191/4885ALDH1A1 1482/4885PPARG 2842/4885

“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.