SCHEMBL4844795

SCHEMBL4844795

C[SiH](C)OC(CCCCCCCCCCC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
FFAR1 O14842 2/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
MAPT P10636 1/20 0.30
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL7562343 1.00 ACACB (0.39) ACACBACACAFFAR1CPT2TDP1
SCHEMBL9734360 0.98 ACACB (0.36) ACACBACACA
SCHEMBL7416905 0.86 GRN (0.33)
SCHEMBL8842576 0.82 CA1 (0.35) ACACBACACA
SCHEMBL6525783 0.79 ACACB (0.39) ACACBACACAFFAR1CPT2TDP1
SCHEMBL28023415 0.78 ACACB (0.40) ACACBACACAFFAR1CPT2TDP1
SCHEMBL8842692 0.78 CA1 (0.37)
SCHEMBL28023526 0.78 ACACB (0.40) ACACBACACAFFAR1CPT2TDP1
SCHEMBL1477140 0.77 ACACB (0.38) ACACBACACAFFAR1CPT2TDP1
SCHEMBL26209030 0.77 ACACB (0.38) ACACBACACAFFAR1CPT2TDP1

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 ACACB 3671/4885ACACA 3206/4885FFAR1 148/4885
US-20030199529-A1 Nitrosated and nitrosylated compounds and compositions and their use for treating respiratory disorders NOS3, NOS1, EDNRA ACACB 3732/4885ACACA 3315/4885FFAR1 144/4885

“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.