SCHEMBL809191

SCHEMBL809191

C=C(CC1(C)CCCc2ccccc21)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.46
KDM1A O60341 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
SIGMAR1 Q99720 3/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD2 P14416 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2B P41595 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
SCHEMBL809227 0.81 NR3C1 (0.48) NR3C1KDM1AMEN1KMT2ASIGMAR1
SCHEMBL809019 0.77 KDM5A (0.52) NR3C1KDM1AMEN1KMT2AKDM5A
SCHEMBL20136561 0.76 KDM1A (0.51) NR3C1KDM1AMEN1KMT2AKDM5A
SCHEMBL3427758 0.74 NR3C1 (0.40) NR3C1KDM5AKDM4CKDM5BSIGMAR1
SCHEMBL6683861 0.74 KDM5A (0.50) NR3C1KDM1AMEN1KMT2AKDM5A
SCHEMBL5549325 0.74 KDM1A (0.50) NR3C1KDM1AMEN1KMT2AKDM5A
SCHEMBL5547560 0.74 KDM1A (0.53) NR3C1KDM1AMEN1KMT2AKDM5A
SCHEMBL809023 0.73 NR3C1 (0.66) NR3C1
SCHEMBL13228023 0.72 KDM1A (0.39) NR3C1KDM1AMEN1KMT2AKDM5A
SCHEMBL27525590 0.72 SIGMAR1 (0.49) NR3C1KDM1AMEN1KMT2AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776119-B9 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
EP-1776119-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2012-01-18 EP disclosed
US-7902224-B2 Tetrahydro-naphthalene derivatives as glucocorticoid receptor modulators GLAXO GROUP LIMITED (GB) 2011-03-08 US disclosed
US-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
EP-1776119-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-25 EP disclosed
WO-2006015870-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-02-16 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-20070224130-A1 Tetrahydro-Naphthalene Derivatives as Glucocorticoid Receptor Modulators NR3C1, NR3C2, MC2R NR3C1 1/4885KDM1A 1458/4885MEN1 2557/4885

“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.