SCHEMBL9127017

SCHEMBL9127017

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.52
▸ PTGER2 P43116 5/20 0.52
▸ PTGER4 P35408 4/20 0.52
▸ PTGER3 P43115 3/20 0.52
▸ PTGIR P43119 2/20 0.52
▸ TBXA2R P21731 2/20 0.52
▸ PTGER1 P34995 2/20 0.52
▸ PTGFR P43088 2/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ PGR P06401 1/20 0.52
▸ HPGD P15428 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
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ SLCO2A1 Q92959 1/20 0.49

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
SCHEMBL16504094 1.00 PTGDR2 (0.52) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL9127033 1.00 PTGDR2 (0.52) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL15779590 0.97 PTGER2 (0.49) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL12455951 0.97 PTGER2 (0.49) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL7614717 0.96 PTGER2 (0.49) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL8594912 0.96 PTGER2 (0.49) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL7614725 0.96 PTGER2 (0.49) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL8822956 0.95 PTGDR2 (0.52) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL8822962 0.95 PTGDR2 (0.52) PTGDR2PTGER2PTGER4PTGER3PTGIR
SCHEMBL9019869 0.93 PTGDR2 (0.52) PTGDR2PTGER2PTGER4PTGER3PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235665-A1 ANTI-CONSTIPATION COMPOSITION SUCAMPO AG (CH) 2014-08-21 — — US disclosed
US-20140235665-A1 ANTI-CONSTIPATION COMPOSITION SUCAMPO AG (CH) 2014-08-21 — — US disclosed
US-8114890-B1 Anti-constipation composition SUCAMPO AG (CH) 2012-02-14 — — US disclosed
US-20120022152-A1 ANTI-CONSTIPATION COMPOSITION SUCAMPO AG (CH) 2012-01-26 — — US disclosed
US-8071613-B2 Anti-constipation composition SUCAMPO AG (CH) 2011-12-06 — — US disclosed
US-5426115-A Increasing blood stream rate in brain tissue KABUSHIKIKAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1995-06-20 — — US disclosed
US-5290811-A Administering as antiischemic or antiedema agent; brain disorders, cognition activators KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1994-03-01 — — 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 (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-20140235665-A1 ANTI-CONSTIPATION COMPOSITION SLC10A2, FABP6, VIP PTGDR2 149/4885PTGER2 1121/4885PTGER4 1482/4885
US-20120022152-A1 ANTI-CONSTIPATION COMPOSITION SLC10A2, FABP6, VIP PTGDR2 188/4885PTGER2 1227/4885PTGER4 1640/4885

“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