SCHEMBL4159809

SCHEMBL4159809

Fc1ccc(-c2cccc(CBr)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DHFR P00374 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
CXCL12 P48061 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL16726971 0.83 HTR7 (0.43) KCNH2AGXTCYP4F2CYP4A11GRM2
SCHEMBL16675753 0.83 CALML3 (0.49) CNR1KDM4EMEN1USP2ALDH1A1
SCHEMBL7396230 0.83 TAAR1 (0.51) CNR1KDM4EMEN1USP2ALDH1A1
SCHEMBL4151331 0.82 DRD2 (0.48) ALDH1A1ACMSDHTR7
SCHEMBL16729378 0.81 TRPA1 (0.44) KCNH2AGXTCYP4F2CYP4A11
SCHEMBL11432662 0.80 TAAR1 (0.55) ALDH1A1AGXTCYP4F2CYP4A11TAAR1
SCHEMBL14926547 0.79 CNR1 (0.49) CNR1KDM4EMEN1USP2ALDH1A1
SCHEMBL2029459 0.78 MAOB (0.49)
SCHEMBL20677874 0.78 AGXT (0.61) CNR1AGXTCYP4F2CYP4A11TAAR1
SCHEMBL27928651 0.78 RARB (0.42) CNR1KCNH2TAAR1PTAFRHTR7

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 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 (2 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R CNR1 131/4885KDM4E 2959/4885MEN1 3261/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R CNR1 131/4885KDM4E 2959/4885MEN1 3261/4885

“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.