SCHEMBL17421986

SCHEMBL17421986

CCCCCC(/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)OC1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 5/20 0.52
▸ PTGER3 P43115 5/20 0.52
▸ PTGER2 P43116 4/20 0.52
▸ PTGER1 P34995 3/20 0.52
▸ TBXA2R P21731 3/20 0.52
▸ PTGFR P43088 3/20 0.52
▸ PTGIR P43119 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ PGR P06401 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.41
▸ SLCO2A1 Q92959 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ LMNA P02545 2/20 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
SCHEMBL17421989 1.00 PTGER4 (0.52) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL22489230 0.91 TBXA2R (0.55) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL11757808 0.90 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL10938627 0.90 PTGER4 (0.55) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL20740228 0.87 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL20740227 0.87 PTGER4 (0.59) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL11546719 0.86 TBXA2R (0.55) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL11728187 0.86 TBXA2R (0.55) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL17421898 0.86 PDE4D (0.57) PTGER4PTGER3PTGER2PTGER1TBXA2R
SCHEMBL17421896 0.86 PDE4D (0.57) PTGER4PTGER3PTGER2PTGER1TBXA2R

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
EP-3166918-B1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY- CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN LTD (TW) 2019-02-20 — — EP disclosed
US-9670234-B2 Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones yielding prostaglandins and prostaglandin analogs SCINOPHARM TAIWAN, LTD. (TW) 2017-06-06 — — US disclosed
US-20160009740-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY-CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN, LTD. (TW) 2016-01-14 — — 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-20160009740-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY-CYCLOPENT-2-EN-1-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS PTGIS, PTGER1, PTGS1 PTGER4 8/4885PTGER3 12/4885PTGER2 7/4885

“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