SCHEMBL20069041

SCHEMBL20069041

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 5/20 0.58
TBXA2R P21731 5/20 0.58
PTGER2 P43116 2/20 0.58
ALDH1A1 P00352 5/20 0.56
SLCO2A1 Q92959 3/20 0.56
LMNA P02545 3/20 0.56
PTGER3 P43115 3/20 0.56
PTGER1 P34995 2/20 0.56
PTGER4 P35408 1/20 0.56
PTGDR Q13258 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.49
ABCC4 O15439 1/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ABCB11 O95342 1/20 0.47

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
SCHEMBL19851568 0.89 PDE4D (0.60) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1
SCHEMBL3364894 0.88 PTGFR (0.71) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1
SCHEMBL11846521 0.88 PTGFR (0.71) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1
SCHEMBL1747671 0.88 PTGFR (0.71) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1
SCHEMBL19821586 0.88 PTGFR (0.60) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1
SCHEMBL13061506 0.87 PTGFR (0.73) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1
SCHEMBL17285513 0.85 PTGFR (0.58) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1
SCHEMBL20061771 0.84 PTGFR (0.57) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1
SCHEMBL19851569 0.83 SLCO2A1 (0.79) PTGFRPTGER2SLCO2A1PTGER3PTGER1
SCHEMBL18656591 0.81 SLCO2A1 (0.70) PTGFRTBXA2RPTGER2ALDH1A1SLCO2A1

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-20180104350-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-04-19 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-20180104350-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 PTGFR 24/4885TBXA2R 23/4885PTGER2 11/4885

“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.