SCHEMBL20991773

SCHEMBL20991773

COC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@@H](O)[C@@H](C)CC#CC2CC2)[C@H](OC2CCCCO2)C[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ UBA2 Q9UBT2 1/20 0.33
▸ PTGER2 P43116 3/20 0.31
▸ PTGER3 P43115 2/20 0.31
▸ PTGIR P43119 2/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ PTGDR Q13258 1/20 0.31
▸ PTGER4 P35408 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL20991776 0.93 ALDH1A1 (0.42) ALDH1A1PDE4DPTGER2PTGER3PTGIR
SCHEMBL20815465 0.92 PDE4D (0.33) ALDH1A1PDE4DKDM4EHKDC1TDP1
SCHEMBL20815467 0.92 PDE4D (0.33) ALDH1A1PDE4DKDM4EHKDC1TDP1
SCHEMBL20991777 0.86 PTGER1 (0.32) ALDH1A1PTGER2PTGER3PTGIRPTGER1
SCHEMBL20815481 0.85 PDE4D (0.35) ALDH1A1PDE4DKDM4EHKDC1TDP1
SCHEMBL20815482 0.85 PDE4D (0.35) ALDH1A1PDE4DKDM4EHKDC1TDP1
SCHEMBL20991862 0.84 ALDH1A1 (0.39) ALDH1A1PDE4DPTGER3
SCHEMBL20815485 0.84 ALDH1A1 (0.39) ALDH1A1PDE4DPTGER3
SCHEMBL20815487 0.84 ALDH1A1 (0.39) ALDH1A1PDE4DPTGER3
SCHEMBL9481263 0.81 PDE4D (0.36) ALDH1A1PDE4DKDM4EHKDC1TDP1

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 ALDH1A1 1221/4885PDE4D 632/4885KDM4E 4200/4885
US-20190135743-A1 NOVEL PROSTAGLANDIN DERIVATIVE PTGIR, PTGIS, PTGER1 ALDH1A1 1005/4885PDE4D 535/4885KDM4E 4232/4885

“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.

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