SCHEMBL3439784

SCHEMBL3439784

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PTGER4 P35408 2/20 0.45
▸ PTGER3 P43115 2/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ UCHL3 P15374 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43

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
SCHEMBL10020985 1.00 TRPA1 (0.46) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2738718 1.00 TRPA1 (0.46) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2760341 0.98 TRPA1 (0.44) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL10052300 0.98 TRPA1 (0.44) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2948236 0.90 PTGER4 (0.48) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2948238 0.90 PTGER4 (0.48) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL30209147 0.88 TRPA1 (0.59) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL21631706 0.88 TRPA1 (0.59) TRPA1ALDH1A1MEN1KMT2ALMNA
SCHEMBL11866493 0.86 DNTT (0.50) TRPA1ALDH1A1LMNAPOLBPTGER4
SCHEMBL11866489 0.86 DNTT (0.50) TRPA1ALDH1A1LMNAPOLBPTGER4

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 3 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
US-7417067-B2 Composition and method for stabilizing the same SUCAMPO AG (CH) 2008-08-26 — — 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-20120095090-A1 NOVEL COMPOSITION AND METHOD FOR STABILIZING THE SAME PHOSPHO1, SGMS2, SGMS1 TRPA1 4415/4885ALDH1A1 4244/4885MEN1 1307/4885

“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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