SCHEMBL20991750

SCHEMBL20991750

COC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)[C@@H](C)CC#CC2CC2)[C@H](C)C[C@@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 7/20 0.38
▸ PTGER2 P43116 6/20 0.33
▸ PTGER3 P43115 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGIR P43119 2/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ PTGDR Q13258 1/20 0.31

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
SCHEMBL20815457 0.92 PDE4D (0.44) PDE4DPTGER2PTGER3PTGER4KCNH2
SCHEMBL20815455 0.92 PDE4D (0.44) PDE4DPTGER2PTGER3PTGER4KCNH2
SCHEMBL20991747 0.86 PTGER2 (0.35) PDE4DPTGER2PTGER3PTGER4KCNH2
SCHEMBL20991861 0.79 PDE4D (0.40) PDE4DPTGER2PTGER3PTGIRPTGER1
SCHEMBL22278867 0.78 PDE4D (0.39) PDE4DPTGER2PTGER3PTGIRPTGER1
SCHEMBL22278903 0.78 PDE4D (0.39) PDE4DPTGER2PTGER3PTGIRPTGER1
SCHEMBL22263540 0.76 PDE4D (0.37) PDE4DPTGER2PTGER3PTGER4PTGIR
SCHEMBL28457532 0.76 PDE4D (0.37) PDE4DPTGER2PTGER3PTGER4PTGIR
SCHEMBL22263537 0.76 PDE4D (0.37) PDE4DPTGER2PTGER3PTGER4PTGIR
SCHEMBL20991773 0.75 ALDH1A1 (0.34) PDE4DPTGER2PTGER3PTGER4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10494338-B2 Prostaglandin derivative AGC Inc. (JP) 2019-12-03 — — US disclosed
US-20190135743-A1 NOVEL PROSTAGLANDIN DERIVATIVE AGC Inc. (JP) 2019-05-09 — — 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 (2 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-10494338-B2 Prostaglandin derivative PTGIR, PTGIS, PTGS1 PDE4D 632/4885PTGER2 10/4885PTGER3 14/4885
US-20190135743-A1 NOVEL PROSTAGLANDIN DERIVATIVE PTGIR, PTGIS, PTGER1 PDE4D 535/4885PTGER2 9/4885PTGER3 13/4885

“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