SCHEMBL959451

SCHEMBL959451

CCCCCC[C@H](C)CC(=O)CP(=O)(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
SMPD1 P17405 3/20 0.40
FDPS P14324 4/20 0.40
ZDHHC7 Q9NXF8 1/20 0.39
PLA2G2A P14555 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
LAP3 P28838 1/20 0.38
FAAH O00519 4/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL9785162 0.94 FDPS (0.36) ACE2SMPD1FDPSZDHHC7PLA2G2A
SCHEMBL958471 0.94 FDPS (0.36) ACE2SMPD1FDPSZDHHC7PLA2G2A
SCHEMBL7948595 0.87 TSHR (0.34) FDPS
SCHEMBL9254795 0.87 TSHR (0.34) FDPS
SCHEMBL9633869 0.84 BLM (0.41)
SCHEMBL3741705 0.82 FDPS (0.52) ACE2SMPD1FDPSLAP3
SCHEMBL11688776 0.81 CYP3A4 (0.40) SMPD1FDPSZDHHC7PLA2G2AGPR84
SCHEMBL28945792 0.79 ACE2 (0.59) ACE2FDPSGPR84
SCHEMBL28945753 0.79 ACE2 (0.59) ACE2FDPSGPR84
SCHEMBL9633958 0.78 FDPS (0.46) ACE2SMPD1FDPSZDHHC7PLA2G2A

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-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 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-20110015238-A1 BLOOD FLOW PROMOTERS FOR CAUDA EQUINA TISSUES PTGFR, PTGIS, PTGIR ACE2 2200/4885SMPD1 2337/4885FDPS 1580/4885

“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.