SCHEMBL16601030

SCHEMBL16601030

C=CC(O)C(F)(F)CCCC

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.31
PPARG P37231 1/20 0.31
OPRK1 P41145 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL11515116 0.79 CES2 (0.31) CES2LPAR1LPAR3
SCHEMBL18023449 0.76 CES2 (0.32) CES2
SCHEMBL7183331 0.75 FDPS (0.36) TSHRALDH1A1PTGS1PPARGOPRK1
SCHEMBL11616660 0.72 CES2 (0.31) CES2LPAR1LPAR3
SCHEMBL21938390 0.72 CES2 (0.32) TSHRCES2LPAR1LPAR3
SCHEMBL15570719 0.72 ABCG2 (0.33) TSHRALDH1A1PTGS1PPARGOPRK1
SCHEMBL24726826 0.71 ABCG2 (0.34) TSHRALDH1A1PTGS1PPARGOPRK1
SCHEMBL24248160 0.70 CES2 (0.32) CES2LPAR1LPAR3
SCHEMBL5753516 0.70 LMNA (0.33) ALDH1A1CES2LPAR1LPAR3
SCHEMBL31417821 0.68

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
US-10100028-B2 Synthesis routes for prostaglandins and prostaglandin intermediates using metathesis PATHEON API SERVICES INC. (US) 2018-10-16 US disclosed
US-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PATHEON API SERVICES INC. 2016-08-18 US disclosed
US-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PATHEON API SERVICES INC. 2016-08-18 US disclosed
WO-2015048736-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS IRIX PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
WO-2015048736-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS IRIX PHARMACEUTICALS, INC. (US) 2015-04-02 WO 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-20160237056-A1 NOVEL SYNTHESIS ROUTES FOR PROSTAGLANDINS AND PROSTAGLANDIN INTERMEDIATES USING METATHESIS PTGES, PTGIS, PTGES2 TSHR 3459/4885HPGD 15/4885ALDH1A1 1734/4885
US-10100028-B2 Synthesis routes for prostaglandins and prostaglandin intermediates using metathesis PTGES, PTGIS, PTGES2 TSHR 3126/4885HPGD 14/4885ALDH1A1 1510/4885

“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.