SCHEMBL4415050

SCHEMBL4415050

CC(C)(C)[Si](C)(C)OC(/C=C/I)CCc1cc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.40
CYP2A6 P11509 3/20 0.37
ADRB2 P07550 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
GLS O94925 3/20 0.34
CHRNA7 P36544 1/20 0.34
ADRA1D P25100 2/20 0.33
CASR P41180 1/20 0.32

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
SCHEMBL4415054 1.00 AGXT (0.40) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL660878 0.88 AGXT (0.42) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL660879 0.88 AGXT (0.42) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL6844411 0.88 AGXT (0.42) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL966115 0.80 AGXT (0.40) AGXTLOXL2GLS
SCHEMBL966114 0.80 AGXT (0.40) AGXTLOXL2GLS
SCHEMBL4415047 0.79 CYP2A6 (0.35) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL967191 0.79 SIGMAR1 (0.35) CYP2A6CASR
SCHEMBL967189 0.79 SIGMAR1 (0.35) CYP2A6CASR
SCHEMBL4494121 0.78 PRSS1 (0.34)

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-1395263-B1 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2009-12-30 EP disclosed
US-7183324-B2 2,3,4-substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2007-02-27 US disclosed
US-7183324-B2 2,3,4-substituted cyclopentanones as therapeutic agents ALLERGAN, INC. (US) 2007-02-27 US disclosed
US-6956057-B2 EP4 agonists as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2005-10-18 US disclosed
US-20050222094-A1 Treatment of inflammatory bowel disease ALLERGAN, INC. 2005-10-06 US disclosed
US-6538018-B1 Method of treating ocular hypertension or glaucoma which comprises administering to an animal having ocular hypertension or glaucoma therapeutically effective amount of a compound ALLERGAN, INC. 2003-03-25 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-20050222094-A1 Treatment of inflammatory bowel disease SLC10A2, NR1H4, FABP2 AGXT 180/4885CYP2A6 1292/4885ADRB2 573/4885

“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.