SCHEMBL15201719

SCHEMBL15201719

CCCCCCCCC(C)([O])F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
LPAR1 Q92633 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
GGPS1 O95749 4/20 0.48
FAAH O00519 7/20 0.43
CES1 P23141 5/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
FDPS P14324 6/20 0.41

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
SCHEMBL15201844 1.00 CES2 (0.50) CES2LPAR1LPAR3GGPS1FAAH
SCHEMBL4647180 0.78 GGPS1 (0.52) CES2LPAR1LPAR3GGPS1TSHR
SCHEMBL21004295 0.78 CES2 (0.48) CES2LPAR1LPAR3GGPS1FAAH
SCHEMBL18214509 0.78 TSHR (0.47) CES2LPAR1LPAR3GGPS1TSHR
SCHEMBL24761193 0.78 LPAR1 (0.54) CES2LPAR1LPAR3GGPS1FAAH
SCHEMBL24926244 0.78 CES2 (0.48) CES2LPAR1LPAR3GGPS1FAAH
SCHEMBL23034428 0.78 LPAR1 (0.54) CES2LPAR1LPAR3GGPS1FAAH
SCHEMBL24761094 0.78 LPAR1 (0.54) CES2LPAR1LPAR3GGPS1FAAH
SCHEMBL21004248 0.78 CES2 (0.48) CES2LPAR1LPAR3GGPS1FAAH
SCHEMBL23716824 0.78 GGPS1 (0.52) CES2LPAR1LPAR3GGPS1TSHR

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-8916513-B2 Dioxirane compounds and uses thereof EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-12-23 US disclosed
US-20140187467-A1 DIOXIRANE COMPOUNDS AND USES THEREOF CRESTLINE DIRECT FINANCE, L.P. 2014-07-03 US disclosed
WO-2013122582-A1 DIOXIRANE COMPOUNDS AND USES THEREOF EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-08-22 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-20140187467-A1 DIOXIRANE COMPOUNDS AND USES THEREOF DUOX2, DECR2, SCO2 CES2 682/4885LPAR1 357/4885LPAR3 223/4885

“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.