SCHEMBL4844799

SCHEMBL4844799

CC(C)(C)[Si](C)(C)OCCCCCCCCCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 5/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
GPR84 Q9NQS5 8/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL8014066 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL1930904 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL7562345 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL30864486 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL9842173 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL4855131 0.98 ALDH1A1 (0.48) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL25278776 0.95 ALDH1A1 (0.47) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL25288591 0.95 ALDH1A1 (0.47) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL4590603 0.92 ALDH1A1 (0.41) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL28489280 0.88 ALDH1A1 (0.39) ALDH1A1TSHRLMNANFKB1PMP22

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345037-B2 Nitrosated and nitrosylated compounds and compositions and their use for treating respiratory disorders NITROMED, INC. (US) 2008-03-18 US disclosed
US-20070155781-A1 Nitrosated and nitrosylated compounds and compositions and their use for treating respiratory disorders ARBOR PHARMACEUTICALS, LLC 2007-07-05 US disclosed
US-7160920-B2 Nitrosated and nitrosylated compounds and compositions and their use for treating respiratory disorders NITROMED, INC. (US) 2007-01-09 US disclosed
US-20030199529-A1 Nitrosated and nitrosylated compounds and compositions and their use for treating respiratory disorders ARBOR PHARMACEUTICALS, LLC 2003-10-23 US disclosed
US-6022714-A Methods for attachment of a polynucleotide to a preselected material GENETICS INSTITUTE (US) 2000-02-08 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 (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-20070155781-A1 Nitrosated and nitrosylated compounds and compositions and their use for treating respiratory disorders EDNRA, NOS3, NOS1 ALDH1A1 1293/4885TSHR 945/4885LMNA 1974/4885
US-20030199529-A1 Nitrosated and nitrosylated compounds and compositions and their use for treating respiratory disorders NOS3, NOS1, EDNRA ALDH1A1 1290/4885TSHR 951/4885LMNA 2065/4885

“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.