SCHEMBL3439785

SCHEMBL3439785

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.42
▸ PTGER3 P43115 3/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ TRPA1 O75762 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MAPT P10636 4/20 0.38
▸ UCHL3 P15374 1/20 0.38
▸ GALR3 O60755 1/20 0.37
▸ DNTT P04053 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10020993 1.00 PTGER4 (0.42) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL2738721 1.00 PTGER4 (0.42) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL10052678 0.97 PTGER4 (0.40) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL10052576 0.97 PTGER4 (0.40) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL2948238 0.86 PTGER4 (0.48) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL2948236 0.86 PTGER4 (0.48) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL14098081 0.86 ALDH1A1 (0.46) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL14138463 0.84 TRPA1 (0.43) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL3439784 0.83 TRPA1 (0.46) PTGER4PTGER3PTGER2ALDH1A1TRPA1
SCHEMBL2738718 0.83 TRPA1 (0.46) PTGER4PTGER3PTGER2ALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095090-A1 NOVEL COMPOSITION AND METHOD FOR STABILIZING THE SAME SUCAMPO AG (CH) 2012-04-19 — — US disclosed
US-8097649-B1 Composition and method for stabilizing the same SUCAMPO AG (CH) 2012-01-17 — — 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-20120095090-A1 NOVEL COMPOSITION AND METHOD FOR STABILIZING THE SAME PHOSPHO1, SGMS2, SGMS1 PTGER4 1938/4885PTGER3 2764/4885PTGER2 1652/4885

“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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