SCHEMBL4586833

SCHEMBL4586833

CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OCc1ccc(Br)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
LMNA P02545 4/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 2/20 0.32
HTT P42858 2/20 0.31
CYP3A4 P08684 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
FABP7 O15540 1/20 0.30
FABP5 Q01469 1/20 0.30
GALR3 O60755 1/20 0.30
NR2F2 P24468 1/20 0.30
CYP11B1 P15538 1/20 0.30

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
SCHEMBL4587307 0.92 IDO1 (0.42) IDO1LMNARAB9AMEN1KMT2A
SCHEMBL1314001 0.81 AGXT (0.42) IDO1LMNATSHRSMN1; SMN2L3MBTL1
SCHEMBL5561672 0.79 IDO1 (0.41) IDO1LMNASMN1; SMN2MAOBHTT
SCHEMBL9472699 0.78 IDO1 (0.37) IDO1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14542685 0.78 AGXT (0.43) IDO1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL9347235 0.78 ESR1 (0.43) IDO1LMNAMEN1KMT2ACYP3A4
SCHEMBL11934179 0.78 TP53 (0.42) IDO1RAB9AMEN1KMT2ATSHR
SCHEMBL2466725 0.77 PPARA (0.39) SMN1; SMN2HTTCYP3A4
SCHEMBL2745018 0.77 PPARG (0.41) KMT2ATSHRNPSR1
SCHEMBL9347236 0.77 AGXT (0.33) IDO1TSHRSMN1; SMN2MAOBHTT

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
EP-1453496-A4 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY ALLERGAN INC (US) 2008-10-08 EP disclosed
EP-1453496-A2 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY Allergan, Inc. (US) 2004-09-08 EP disclosed
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity ALLERGAN SALES, INC. 2003-07-31 US disclosed
WO-2003043581-A2 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2003-05-30 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-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity NR1H4, FXR1, GPBAR1 IDO1 4580/4885LMNA 4376/4885RAB9A 1775/4885

“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.