SCHEMBL17577720

SCHEMBL17577720

CCOP(=O)(CCCN(C)CCCCCCCCCCCCCCCCCI)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
PPARD Q03181 1/20 0.40
TSHR P16473 1/20 0.36
GGPS1 O95749 4/20 0.35
FDPS P14324 1/20 0.35
AGTR1 P30556 1/20 0.35
OPRM1 P35372 1/20 0.35
PDE3A Q14432 1/20 0.35
CHRM2 P08172 1/20 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
SCHEMBL17449234 0.86 S1PR2 (0.61) S1PR2S1PR1S1PR3S1PR5PPARD
SCHEMBL17449236 0.86 S1PR2 (0.61) S1PR2S1PR1S1PR3S1PR5PPARD
Bromide SCHEMBL14060814 0.85 S1PR2 (0.59) S1PR2S1PR1S1PR3S1PR5PPARD
Bromide SCHEMBL14060445 0.85 S1PR2 (0.59) S1PR2S1PR1S1PR3S1PR5PPARD
SCHEMBL23130629 0.84 PPARD (0.50) PPARDTSHR
SCHEMBL26980280 0.84 PPARD (0.50) PPARDTSHR
SCHEMBL29499428 0.84 PPARD (0.50) PPARDTSHR
SCHEMBL29499398 0.82 PPARD (0.52) PPARDTSHR
SCHEMBL28615546 0.80 PPARD (0.54) PPARDTSHR
SCHEMBL20398984 0.77 PPARD (0.47) PPARDTSHR

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-9642369-B2 Phosphorus functional antimicrobial coatings for metal surfaces NANO SAFE COATINGS INCORPORATED (US) 2017-05-09 US disclosed
US-20160066579-A1 PHOSPHORUS FUNCTIONAL ANTIMICROBIAL COATINGS FOR METAL SURFACES BIOSHIELD TECHNOLOGIES CANADA LIMITED (CA) 2016-03-10 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-20160066579-A1 PHOSPHORUS FUNCTIONAL ANTIMICROBIAL COATINGS FOR METAL SURFACES PHOSPHO1, FHIT, IPMK S1PR2 4589/4885S1PR1 4267/4885S1PR3 4235/4885

“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.