SCHEMBL17429905

SCHEMBL17429905

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.61
LMNA P02545 4/20 0.61
ALDH1A1 P00352 4/20 0.61
PTGFR P43088 4/20 0.61
PTGER1 P34995 3/20 0.61
PTGER3 P43115 3/20 0.61
PTGER4 P35408 3/20 0.61
SLCO2A1 Q92959 2/20 0.61
PTGDR Q13258 1/20 0.61
HPGD P15428 3/20 0.57
ABCC4 O15439 1/20 0.57
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
HIF1A Q16665 1/20 0.56
KDM4E B2RXH2 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL17429904 0.90 ALDH1A1 (0.53) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL20740218 0.90 TBXA2R (0.60) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL20749914 0.90 TBXA2R (0.60) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL20740219 0.90 TBXA2R (0.60) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL10015887 0.86 PTGFR (0.63) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL11351983 0.85 TBXA2R (0.84) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL14601300 0.84 PTGFR (0.62) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL7666551 0.84 PDE4D (0.51) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL7666557 0.84 PDE4D (0.51) TBXA2RLMNAALDH1A1PTGFRPTGER1
SCHEMBL7866047 0.84 PDE4D (0.51) TBXA2RLMNAALDH1A1PTGFRPTGER1

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-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 TBXA2R 122/4885LMNA 4012/4885ALDH1A1 307/4885

“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.