SCHEMBL5898949

SCHEMBL5898949

CCCCCCCCCC1=C2CCC(C1)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
SPHK1 Q9NYA1 7/20 0.35
NR5A2 O00482 5/20 0.33
CYP1A2 P05177 2/20 0.32
NR5A1 Q13285 5/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SPHK2 Q9NRA0 3/20 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
SCHEMBL1010914 1.00 SCD (0.37) SCDSPHK1NR5A2CYP1A2NR5A1
SCHEMBL11181371 1.00 SCD (0.37) SCDSPHK1NR5A2CYP1A2NR5A1
SCHEMBL9122406 1.00 SCD (0.37) SCDSPHK1NR5A2CYP1A2NR5A1
SCHEMBL1012468 1.00 SCD (0.37) SCDSPHK1NR5A2CYP1A2NR5A1
SCHEMBL679390 1.00 SCD (0.37) SCDSPHK1NR5A2CYP1A2NR5A1
SCHEMBL1011861 1.00 SCD (0.37) SCDSPHK1NR5A2CYP1A2NR5A1
SCHEMBL797511 0.98 SCD (0.34) SCDSPHK1NR5A2MEN1KMT2A
SCHEMBL239983 0.92
Ammonia Solution, Strong SCHEMBL21411456 0.82
SCHEMBL2961195 0.74 SCD (0.45) SCDNR5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105617-B2 Metal 8-hydroxyquinoline-functionalized polymers and related materials and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2006-09-12 US disclosed
US-20050131175-A1 Metal 8-hydroxyquinoline-functionalized polymers and related materials and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION 2005-06-16 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-20050131175-A1 Metal 8-hydroxyquinoline-functionalized polymers and related materials and methods of making and using the same KCNQ2, KCNQ3, KCNQ1 SCD 3393/4885SPHK1 4827/4885NR5A2 2365/4885

“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.