SCHEMBL861931

SCHEMBL861931

COC(=O)CCCCCC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.38
PDE4D Q08499 7/20 0.36
TBXA2R P21731 2/20 0.35
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
PGR P06401 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
EPHX2 P34913 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10020798 1.00 PTGER2 (0.38) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL16504095 1.00 PTGER2 (0.38) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL2738742 1.00 PTGER2 (0.38) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL14098097 1.00 PTGER2 (0.38) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL2738741 1.00 PTGER2 (0.38) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL2738740 0.89 PTGER2 (0.33) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL14098092 0.89 PTGER2 (0.33) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL16504092 0.89 PTGER2 (0.33) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL10020800 0.89 PTGER2 (0.33) PTGER2PDE4DTBXA2RPTGER4ALDH1A1
SCHEMBL3439806 0.85 PTGER2 (0.40) PTGER2TBXA2RPTGER4ALDH1A1LMNA

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-8748454-B2 Anti-constipation composition SUCAMPO AG (CH) 2014-06-10 US disclosed
US-20120237598-A1 ANTI-CONSTIPATION COMPOSITION SUCAMPO AG (CH) 2012-09-20 US disclosed
US-8143316-B2 Method for treating peripheral vascular diseases SUCAMPO AG (CH) 2012-03-27 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

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-20120022152-A1 ANTI-CONSTIPATION COMPOSITION SLC10A2, FABP6, VIP PTGER2 1227/4885PDE4D 436/4885TBXA2R 1845/4885
US-20120237598-A1 ANTI-CONSTIPATION COMPOSITION SLC10A2, FABP6, VIP PTGER2 1227/4885PDE4D 436/4885TBXA2R 1845/4885

“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.