SCHEMBL16613944

SCHEMBL16613944

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nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.61
PGR P06401 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
ADRA2C P18825 1/20 0.61
SLC6A2 P23975 1/20 0.61
HTR2B P41595 1/20 0.61
MC3R P41968 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SCN5A Q14524 1/20 0.61
TBXA2R P21731 4/20 0.59
PTGFR P43088 6/20 0.54
ABCB11 O95342 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
CA2 P00918 3/20 0.53
ABCC4 O15439 1/20 0.52
ALDH1A1 P00352 3/20 0.52

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
SCHEMBL19851524 0.87 PDE4D (0.56) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL21754428 0.86 ALDH1A1 (0.63) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL15473293 0.85 PDE4D (0.69) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL8903053 0.83 PDE4D (0.70) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL8903056 0.83 PDE4D (0.70) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL8903915 0.83 PDE4D (0.70) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL8903910 0.83 PDE4D (0.70) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL14601277 0.83 ALDH1A1 (0.66) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL10077111 0.83 PDE4D (0.63) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL6693761 0.82 TBXA2R (0.58) PDE4DPGRADORA3ADRA2CSLC6A2

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-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PATHEON API SERVICES INC. 2016-08-18 US disclosed
US-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PATHEON API SERVICES INC. 2016-08-18 US disclosed
WO-2015048736-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS IRIX PHARMACEUTICALS, INC. (US) 2015-04-02 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-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PTGES, PTGIS, PTGES2 PDE4D 2123/4885PGR 780/4885ADORA3 3525/4885

“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.