SCHEMBL12453617

SCHEMBL12453617

COP(=O)(O)ONCCCOCCOCCOCCCNC(=O)N(CCc1cc(O)c(O)c(O)c1)Cc1cc(O)c(O)c(O)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.32
▸ LPAR1 Q92633 1/20 0.32
▸ SERPINE1 P05121 1/20 0.30
▸ APP P05067 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
SCHEMBL24871622 0.57 ALOX5 (0.57) —
SCHEMBL27347165 0.54 PPARD (0.30) —
SCHEMBL328470 0.54 KDM4E (0.69) —
Methoxyethoxyethylgallate SCHEMBL28100005 0.53 SERPINE1 (0.83) SERPINE1
Gallic Acid SCHEMBL28325363 0.53 KDM4E (0.57) SERPINE1
SCHEMBL23442008 0.53 PLA2G2A (0.44) —
SCHEMBL14265137 0.53 PLA2G2A (0.44) —
SCHEMBL19699812 0.52 CYP3A4 (0.41) LPAR1
SCHEMBL14802705 0.52 CYP3A4 (0.41) LPAR1
SCHEMBL15888711 0.52 KDM4E (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165563-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2011-07-07 — — US disclosed
US-20110165563-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2011-07-07 — — US disclosed
WO-2010026490-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2010-03-11 — — WO 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-20110165563-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS POLM, RNGTT, TYMP ACHE 3739/4885LPAR1 4305/4885SERPINE1 4791/4885

“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.

Send feedback