SCHEMBL2590604

SCHEMBL2590604

CCCC(C)(O)C1CCCC(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 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
SCHEMBL2592997 0.90 PTGS1 (0.33) PTGS1
SCHEMBL2585491 0.86 PTGS1 (0.36) PTGS1
SCHEMBL2593294 0.82 OSBP (0.34) PTGS1
SCHEMBL14759042 0.78 PTGS1 (0.34) PTGS1
SCHEMBL7546482 0.77 PTGS1 (0.30) PTGS1
SCHEMBL2906238 0.77 TRPA1 (0.37) PTGS1
SCHEMBL2588624 0.77 PTGS1 (0.36) PTGS1
SCHEMBL28578100 0.75 CYP1A2 (0.38)
SCHEMBL11981967 0.75 CYP1A2 (0.38)
SCHEMBL31482316 0.74 TRPA1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085516-B2 Compounds with a woody note V. MANE FILS (FR) 2015-07-21 US claimed
EP-2566838-B1 COMPOUNDS WITH A WOODY NOTE MANE FILS V (FR) 2014-07-02 EP claimed
US-20130123548-A1 Compounds with a Woody Note V. MANE FILS (FR) 2013-05-16 US claimed
US-9085516-B2 Compounds with a woody note V. MANE FILS (FR) 2015-07-21 US disclosed
EP-2566838-B1 COMPOUNDS WITH A WOODY NOTE MANE FILS V (FR) 2014-07-02 EP disclosed
US-20130123548-A1 Compounds with a Woody Note V. MANE FILS (FR) 2013-05-16 US disclosed
EP-2566838-A1 COMPOUNDS WITH A WOODY NOTE V. Mane Fils (FR) 2013-03-13 EP disclosed
WO-2011138747-A1 COMPOUNDS WITH A WOODY NOTE V. MANE FILS (FR) 2011-11-10 WO 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-20130123548-A1 Compounds with a Woody Note C5, C1S, C9 PTGS1 972/4885

“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.