SCHEMBL10052576

SCHEMBL10052576

CCCCC(F)(F)C(=O)CCC1C=CC(=O)C1C/C=C\CCCCC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.40
▸ PTGER3 P43115 2/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ TRPA1 O75762 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ PTPN7 P35236 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ PGR P06401 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ ABCB11 O95342 1/20 0.36

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
SCHEMBL10052678 1.00 PTGER4 (0.40) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL10020993 0.97 PTGER4 (0.42) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL2738721 0.97 PTGER4 (0.42) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL3439785 0.97 PTGER4 (0.42) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL14138463 0.87 TRPA1 (0.43) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL14098081 0.85 ALDH1A1 (0.46) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL10052300 0.84 TRPA1 (0.44) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL2760341 0.84 TRPA1 (0.44) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL2948236 0.83 PTGER4 (0.48) PTGER4PTGER3PTGER2TRPA1ALDH1A1
SCHEMBL2948238 0.83 PTGER4 (0.48) PTGER4PTGER3PTGER2TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120022152-A1 ANTI-CONSTIPATION COMPOSITION SLC10A2, FABP6, VIP PTGER4 1640/4885PTGER3 1211/4885PTGER2 1227/4885

“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.

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