SCHEMBL3965331

SCHEMBL3965331

CCCCCCc1ccc(Oc2ccc(CNc3cccc([N+](=O)[O-])c3C)cc2)cc1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PLK1 P53350 4/20 0.42
PLK3 Q9H4B4 1/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR3C1 P04150 3/20 0.39
PGR P06401 3/20 0.39
PLA2G4B P0C869 1/20 0.39
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
CYSLTR2 Q9NS75 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
SCHEMBL3964922 0.84 NR3C1 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3964927 0.84 NR3C1 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3970667 0.83 NR3C1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3970673 0.83 NR3C1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3969492 0.79 NR3C1 (0.59) TSHRALDH1A1MEN1KMT2ANR3C1
SCHEMBL3969499 0.79 NR3C1 (0.59) TSHRALDH1A1MEN1KMT2ANR3C1
SCHEMBL3965796 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3967926 0.78 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3959791 0.76 MAPT (0.53) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3968423 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 US disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 WO 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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 TSHR 189/4885ALDH1A1 1310/4885MEN1 2380/4885

“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.