SCHEMBL2005113

SCHEMBL2005113

C=CCc1cc(C(C)N)ccc1-c1cc(F)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.41
GABRB2 P47870 6/20 0.41
ALOX5 P09917 2/20 0.41
CNR2 P34972 2/20 0.41
CETP P11597 2/20 0.39
NR3C1 P04150 4/20 0.38
PGR P06401 4/20 0.38
NR3C2 P08235 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ELANE P08246 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ERN1 O75460 1/20 0.34
CASR P41180 2/20 0.34

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
SCHEMBL2003579 0.83 CETP (0.40) GABRA1GABRB2CETPELANEOPRM1
SCHEMBL2008079 0.77 NR3C1 (0.43) CETPNR3C1PGRALDH1A1ELANE
SCHEMBL2006747 0.76 ALDH1A1 (0.52) GABRA1GABRB2ALOX5ALDH1A1ELANE
SCHEMBL21358033 0.74 GABRA1 (0.56) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL4971189 0.74 F7 (0.36) CETPALDH1A1
SCHEMBL2009918 0.74 CASR (0.49) NR3C1PGRNR3C2ERN1CASR
SCHEMBL2009504 0.74 CASR (0.49) NR3C1PGRNR3C2ERN1CASR
SCHEMBL2007412 0.74 GABRA1 (0.40) GABRA1GABRB2ALOX5CNR2ALDH1A1
SCHEMBL2011363 0.74 CETP (0.41) CETP
SCHEMBL19237501 0.70 GABRA1 (0.52) GABRA1GABRB2ALOX5CNR2ALDH1A1

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 4 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
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO 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 GABRA1 224/4885GABRB2 431/4885ALOX5 1326/4885

“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.