SCHEMBL2011438

SCHEMBL2011438

COc1ncccc1-c1ccc([C@@H](C)N)cc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP19A1 P11511 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CFD P00746 1/20 0.39
F11 P03951 1/20 0.39
TPSB2 P20231 1/20 0.39
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NAAA Q02083 1/20 0.37
MAPT P10636 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
PDE5A O76074 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL5236465 1.00 LTA4H (0.42) LTA4HMAPK14CYP11B1CYP11B2CYP19A1
SCHEMBL2002855 0.85 ALOX5AP (0.42) NPC1RAB9AMAPTALOX5APFEN1
SCHEMBL2005891 0.79 CA1 (0.40) CYP11B1CYP11B2FFAR1MAPT
SCHEMBL2005890 0.79 CA1 (0.40) CYP11B1CYP11B2FFAR1MAPT
SCHEMBL6375554 0.78 NPC1 (0.52) NPC1RAB9AKDM4EALDH1A1
SCHEMBL30806026 0.78 NPC1 (0.52) NPC1RAB9AKDM4EALDH1A1
SCHEMBL6376690 0.78 SMPD1 (0.51) CFDF11TPSB2KDM4EPDE4A
SCHEMBL5236458 0.77 APP (0.43) CYP11B1CYP11B2CYP19A1KDM4EMAPT
Hydrochloric Acid SCHEMBL8747244 0.76 NPC1 (0.51) NPC1RAB9AKDM4ELMNAALDH1A1
SCHEMBL10710291 0.76 CFD (0.49) NPC1RAB9ACFDF11TPSB2

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 LTA4H 999/4885MAPK14 1690/4885CYP11B1 33/4885

“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.