SCHEMBL16613913

SCHEMBL16613913

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 9/20 0.59
TBXA2R P21731 7/20 0.59
PTGER3 P43115 6/20 0.59
PTGER1 P34995 5/20 0.59
LMNA P02545 3/20 0.59
ALDH1A1 P00352 2/20 0.59
PTGER4 P35408 2/20 0.59
SLCO2A1 Q92959 2/20 0.59
PTGDR Q13258 1/20 0.59
HPGD P15428 2/20 0.51
ABCC4 O15439 1/20 0.51
PTGER2 P43116 2/20 0.49
PTGIR P43119 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
THRB P10828 1/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL18022096 0.88 TBXA2R (0.53) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL21754428 0.84 ALDH1A1 (0.63) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL18932223 0.83 PTGFR (0.63) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL12808471 0.82 PTGFR (0.61) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL11343326 0.82 PTGFR (0.77) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL11343328 0.82 PTGFR (0.77) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL10724938 0.82 PTGFR (0.54) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL8902509 0.81 SLCO2A1 (0.53) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL8902504 0.81 SLCO2A1 (0.53) PTGFRTBXA2RPTGER3PTGER1LMNA
SCHEMBL18924923 0.81 PTGFR (0.73) PTGFRTBXA2RPTGER3PTGER1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206309-A1 METHODS AND COMPOSITIONS RELATED TO THE TREATMENT OF NURR1- AND PPARy-MEDIATED CONDITIONS THE MCLEAN HOSPITAL CORPORATION 2020-07-02 US disclosed
US-9994543-B2 Processes and intermediates for the preparations of isomer free prostaglandins CHIROGATE INTERNATIONAL INC. (TW) 2018-06-12 US disclosed
US-9828356-B2 Processes and intermediates for the preparations of isomer free prostaglandis CHIROGATE INTERNATIONAL INC. (TW) 2017-11-28 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

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 PTGFR 14/4885TBXA2R 35/4885PTGER3 16/4885
US-20200206309-A1 METHODS AND COMPOSITIONS RELATED TO THE TREATMENT OF NURR1- AND PPARy-MEDIATED CONDITIONS NCOR1, PPARG, NR3C1 PTGFR 945/4885TBXA2R 1201/4885PTGER3 2019/4885

“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.