SCHEMBL17421815

SCHEMBL17421815

O=C(O)CCCC=CCC1=C[C@H](O)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.47
PPARG P37231 4/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 2/20 0.41
KMT2A Q03164 2/20 0.41
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
PTGS1 P23219 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
RXRA P19793 1/20 0.41
OXER1 Q8TDS5 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL11451513 1.00 TOP1 (0.47) TOP1PPARGPPARDPPARAALDH1A1
SCHEMBL11573698 1.00 TOP1 (0.47) TOP1PPARGPPARDPPARAALDH1A1
SCHEMBL11234405 1.00 TOP1 (0.47) TOP1PPARGPPARDPPARAALDH1A1
SCHEMBL1083217 1.00 TOP1 (0.47) TOP1PPARGPPARDPPARAALDH1A1
SCHEMBL1083220 1.00 TOP1 (0.47) TOP1PPARGPPARDPPARAALDH1A1
SCHEMBL10686186 0.94 ALDH1A1 (0.43) TOP1PPARGPPARDPPARAALDH1A1
SCHEMBL11216573 0.89 TOP1 (0.35) TOP1PTGER2TBXA2R
SCHEMBL11182020 0.87 TOP1 (0.33) TOP1
SCHEMBL11595519 0.84 PTGER2 (0.37) PPARGALDH1A1OXER1KDM4ETDP1
SCHEMBL9460671 0.84 PTGER2 (0.37) PPARGALDH1A1OXER1KDM4ETDP1

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 5 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
EP-3166918-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) 2017-05-17 EP disclosed
WO-2016005943-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY- CYCLOPENT-2-EN-L-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN, LTD. (TW) 2016-01-14 WO 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 TOP1 295/4885PPARG 539/4885PPARD 1125/4885

“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.