SCHEMBL4368580

SCHEMBL4368580

CCCCC(N)(O)CCC

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 14/20 0.44
SMPD1 P17405 4/20 0.37
GGPS1 O95749 6/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL14840328 0.94 FDPS (0.48) FDPSSMPD1GGPS1ESR1ESR2
SCHEMBL7011302 0.92 FDPS (0.46) FDPSSMPD1GGPS1
SCHEMBL7719887 0.90 FDPS (0.48) FDPSSMPD1GGPS1
SCHEMBL999922 0.89 FDPS (0.48) FDPSSMPD1GGPS1
SCHEMBL14840392 0.88
SCHEMBL22915512 0.84 FDPS (0.41) FDPSSMPD1GGPS1
SCHEMBL6151052 0.83
SCHEMBL1271337 0.83 FDPS (0.52) FDPSSMPD1GGPS1
SCHEMBL5391830 0.83 FDPS (0.52) FDPSSMPD1GGPS1
SCHEMBL28766865 0.81

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-7585850-B2 Stable and active complexes of adenosine and adenosine phosphates with aminoalcohols for the treatment of pulmonary artery hypertension, cardiac failure and other diseases ADENOBIO N.V. (NL) 2009-09-08 US disclosed
WO-2005074946-A1 STABLE AND ACTIVE COMPLEXES OF ADENOSINE AND ADENOSINE PHOSPHATES WITH AMINOALCOHOLS FOR THE TREATMENT OF PULMONARY ARTERY HYPERTENSION, CARDIAC FAILURE AND OTHER DISEASES ADENOBIO N.V. (NL) 2005-08-18 WO disclosed
US-20050176675-A1 Stable and active complexes of adenosine and adenosine phosphates with aminoalcohols for the treatment of pulmonary artery hypertension, cardiac failure and other diseases ADENOBIO N.V. (NL) 2005-08-11 US disclosed
US-4868259-A Emulsion polymerization process THE GOODYEAR TIRE & RUBBER COMPANY (US) 1989-09-19 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-20050176675-A1 Stable and active complexes of adenosine and adenosine phosphates with aminoalcohols for the treatment of pulmonary artery hypertension, cardiac failure and other diseases ADK, ADORA3, ADORA1 FDPS 922/4885SMPD1 779/4885GGPS1 492/4885

“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.