SCHEMBL3758682

SCHEMBL3758682

N#Cc1ccc(Oc2ccc(OCc3ccccc3)c(Cl)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
MRGPRX4 Q96LA9 7/20 0.55
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
FFAR1 O14842 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AR P10275 2/20 0.45
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
NR3C1 P04150 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL2705223 0.90 MAOB (0.61) MAOBMRGPRX4FFAR1ARNR3C1
SCHEMBL2395569 0.84 NPC1 (0.48) MAOBMRGPRX4EGFRERBB2NPC1
SCHEMBL28961976 0.83 MAOB (0.89) MAOBFFAR1RAB9ASMN1; SMN2AR
SCHEMBL13047045 0.82 MRGPRX4 (0.52) MRGPRX4FFAR1NPC1NFKB1RAB9A
SCHEMBL17658995 0.80 ALOX5 (0.58) MAOBMRGPRX4NPC1NFKB1RAB9A
SCHEMBL2705229 0.79 MRGPRX4 (0.65) MRGPRX4NPC1NFKB1RAB9ANFKB2
SCHEMBL403151 0.78 MAOB (1.00) MAOBRAB9ASMN1; SMN2ARCYP19A1
SCHEMBL1657036 0.76 MAOB (0.82) MAOBMRGPRX4FFAR1RAB9ASMN1; SMN2
SCHEMBL14854982 0.75 MRGPRX4 (0.53) MAOBMRGPRX4EGFRERBB2
SCHEMBL4986557 0.75 NPC1 (0.52) MRGPRX4NPC1NFKB1RAB9ANFKB2

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
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 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-20100303758-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R MAOB 3226/4885MRGPRX4 8/4885EGFR 1307/4885

“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.