SCHEMBL682291

SCHEMBL682291

O=C(O)[C@]1(CCCCCCOc2ccc(Cl)cc2)CO1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.71
LMNA P02545 1/20 0.71
MAPT P10636 1/20 0.71
MAPK1 P28482 1/20 0.71
CPT1A P50416 1/20 0.53
HRH3 Q9Y5N1 12/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44

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
SCHEMBL10436373 1.00 ABCB11 (0.71) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL6260778 1.00 ABCB11 (0.71) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL2477480 1.00 ABCB11 (0.71) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL10436377 1.00 ABCB11 (0.71) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL20338964 0.99 ABCB11 (0.70) ABCB11LMNAMAPTMAPK1CPT1A
Dechloroetomoxir SCHEMBL6262443 0.87 ABCB11 (0.54) ABCB11LMNAMAPTMAPK1CYP4F2
Dechloroetomoxir SCHEMBL10436254 0.87 ABCB11 (0.54) ABCB11LMNAMAPTMAPK1CYP4F2
SCHEMBL10436502 0.87 ABCB11 (0.54) ABCB11LMNAMAPTMAPK1CYP4F2
SCHEMBL30585170 0.86 ABCB11 (0.68) ABCB11LMNAMAPTMAPK1CPT1A
SCHEMBL30585168 0.86 ABCB11 (0.68) ABCB11LMNAMAPTMAPK1CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110048980-A1 Fatty Acid Oxidation Inhibitors Treating Hyperglycemia and Related Disorders SYMCOPEIA COMPANY (US) 2011-03-03 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-20110048980-A1 Fatty Acid Oxidation Inhibitors Treating Hyperglycemia and Related Disorders PDE5A, ELOVL5, CPT1B ABCB11 4665/4885LMNA 1634/4885MAPT 2356/4885

“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.