SCHEMBL4163602

SCHEMBL4163602

Fc1ccccc1COc1cccc(CBr)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.56
PARP15 Q460N3 3/20 0.49
PARP10 Q53GL7 3/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HPD P32754 1/20 0.47
BCHE P06276 1/20 0.46
PARP14 Q460N5 1/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL16710558 0.83 MAOB (0.55) MAOBPARP15PARP10LMNAKDM4E
SCHEMBL4229059 0.82 MAOB (0.71) MAOBPARP15PARP10TSHRPARP14
SCHEMBL29411728 0.80 MAOB (0.68) MAOBBCHE
SCHEMBL80829 0.80 MAOB (0.68) MAOBBCHE
SCHEMBL22964135 0.79 MAOB (0.57) MAOBPARP15PARP10LMNAKDM4E
SCHEMBL19065126 0.78 KMT2A (0.52) MAOBLMNAKDM4EHTTTP53
SCHEMBL4638459 0.78 MAOB (0.60) MAOBPARP15PARP10LMNAKDM4E
SCHEMBL21084234 0.78 LMNA (0.57) MAOBPARP15PARP10LMNAKDM4E
SCHEMBL21477271 0.78 MAOB (0.55) MAOBPARP15PARP10LMNAKDM4E
SCHEMBL4158572 0.78 MAOB (0.69) MAOBLMNAKDM4EBCHETHRB

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 MAOB 1703/4885PARP15 2422/4885PARP10 2793/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R MAOB 1703/4885PARP15 2422/4885PARP10 2793/4885

“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.