SCHEMBL4496052

SCHEMBL4496052

CC(C)(C)[Si](C)(C)OCc1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.48
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
IDO1 P14902 3/20 0.37
AGXT P21549 3/20 0.37
APP P05067 1/20 0.34
BACE1 P56817 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
DUT P33316 2/20 0.31
NR4A2 P43354 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL31643222 0.87 PREP (0.49) PREPCA12CA1CA9IDO1
SCHEMBL6156659 0.85 IDO1 (0.55) PREPIDO1AGXT
SCHEMBL12201060 0.85 PREP (0.59) PREPCA12CA1CA9IDO1
SCHEMBL481257 0.83 IDO1 (0.50) IDO1APPMAPTHPGDDUT
SCHEMBL2981195 0.83 TRPA1 (0.33) PREPIDO1AGXTBACE1DUT
SCHEMBL7301986 0.82 PREP (0.46) PREPCA12CA1CA9IDO1
SCHEMBL6763899 0.82 PREP (0.53) PREPCA12CA1CA9
SCHEMBL15489965 0.81 TDP1 (0.37) AGXTBACE1DUTRXRARXRB
SCHEMBL12426281 0.81 PREP (0.46) PREPCA12CA1CA9MAPT
SCHEMBL12855670 0.81 AGXT (0.52) CA1CA9IDO1AGXT

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
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
EP-1838316-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES Array Biopharma, Inc. (US) 2007-10-03 EP disclosed
WO-2006078724-A2 MACROCYCLIC ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES ARRAY BIOPHARMA NC. (US) 2006-07-27 WO disclosed
US-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. 2006-07-20 US disclosed
EP-0594588-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1994-05-04 EP disclosed
WO-1991013054-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1991-09-05 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-20060160838-A1 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases TSLP, XDH, IFNG PREP 1173/4885CA12 2098/4885CA1 2903/4885

“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.