SCHEMBL19851524

SCHEMBL19851524

C=C[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](OC(C)=O)C[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.56
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2B P41595 1/20 0.50
MC3R P41968 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SCN5A Q14524 1/20 0.50
TBXA2R P21731 1/20 0.48
ABCB11 O95342 2/20 0.45
PTGFR P43088 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
CA2 P00918 3/20 0.43
ABCC4 O15439 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL16613944 0.87 PDE4D (0.61) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL19821527 0.84 PDE4D (0.66) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL18656723 0.82 PDE4D (0.72) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL19556826 0.82 PDE4D (0.72) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL18656491 0.81 PDE4D (0.68) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL19845845 0.80 PDE4D (0.57) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL18656716 0.79 PDE4D (0.66) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL11420043 0.78 PDE4D (0.65) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL11420040 0.78 PDE4D (0.65) PDE4DPGRADORA3ADRA2CSLC6A2
SCHEMBL18656728 0.77 PDE4D (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036416-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-02-08 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-20180036416-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 PDE4D 221/4885PGR 1197/4885ADORA3 530/4885

“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.