SCHEMBL2006872

SCHEMBL2006872

COc1ccc(C)cc1-c1ccc([C@@H](C)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
ACHE P22303 1/20 0.44
SYK P43405 1/20 0.42
PBK Q96KB5 1/20 0.41
CTSA P10619 4/20 0.39
BACE1 P56817 1/20 0.39
ALKBH3 Q96Q83 1/20 0.38
NEK1 Q96PY6 2/20 0.38
ERN1 O75460 1/20 0.38

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
SCHEMBL5234949 1.00 CASR (0.47) CASRALDH1A1CYP3A4ACHESYK
SCHEMBL5236993 0.83 ADRB2 (0.52) CASRALDH1A1CTSAERN1
SCHEMBL2006306 0.83 ADRB2 (0.52) CASRALDH1A1CTSAERN1
SCHEMBL2009918 0.83 CASR (0.49) CASRSYKBACE1ERN1
SCHEMBL2009504 0.83 CASR (0.49) CASRSYKBACE1ERN1
SCHEMBL14446041 0.82 ACHE (0.58) ALDH1A1CYP3A4ACHESYKBACE1
SCHEMBL18084776 0.80 CASR (0.46) CASRACHECTSAERN1
SCHEMBL2784662 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4ACHESYKBACE1
SCHEMBL30913862 0.78 PTPRC (0.50) CASRPBK
SCHEMBL29225791 0.78 PTPRC (0.50) CASRPBK

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-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R CASR 517/4885ALDH1A1 1050/4885CYP3A4 158/4885

“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.