SCHEMBL864324

SCHEMBL864324

[CH2]CCCC(O)(O)OP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.41
FDPS P14324 1/20 0.30
PDE3A Q14432 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
SCHEMBL340324 0.74 SMPD1 (0.70) SMPD1FDPS
SCHEMBL1768907 0.74 SMPD1 (0.70) SMPD1FDPS
SCHEMBL202465 0.67 SMPD1 (0.47) SMPD1FDPS
SCHEMBL11675759 0.65 SMPD1 (0.45) SMPD1FDPS
SCHEMBL7762827 0.64 FDPS (0.61) FDPSPDE3A
SCHEMBL6154740 0.64 LPAR1 (0.57) FDPSPDE3A
SCHEMBL27551398 0.62 SMPD1 (0.38) SMPD1
SCHEMBL864556 0.61
SCHEMBL27555140 0.61
SCHEMBL1623430 0.61 SMPD1 (0.60) SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US claimed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP claimed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SMPD1 2614/4885FDPS 3/4885PDE3A 440/4885

“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.