SCHEMBL2048808

SCHEMBL2048808

CC1CC(=O)CCCC/C=C\CCCCC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
ALDH1A1 P00352 2/20 0.36
CRBN Q96SW2 1/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
KMT2A Q03164 1/20 0.31
THRB P10828 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
SCHEMBL2046507 1.00 TRIM24 (0.38) TRIM24TRIM33ALDH1A1CRBNMAPT
SCHEMBL2046509 1.00 TRIM24 (0.38) TRIM24TRIM33ALDH1A1CRBNMAPT
SCHEMBL7533356 0.88 TRIM24 (0.36) TRIM24TRIM33ALDH1A1MAPTPDE4A
SCHEMBL7529781 0.88 TRIM24 (0.36) TRIM24TRIM33ALDH1A1MAPTPDE4A
SCHEMBL112495 0.88 TRIM24 (0.36) TRIM24TRIM33ALDH1A1MAPTPDE4A
SCHEMBL2053850 0.88 TRIM24 (0.36) TRIM24TRIM33ALDH1A1MAPTPDE4A
SCHEMBL18244192 0.88 TRIM24 (0.36) TRIM24TRIM33ALDH1A1MAPTPDE4A
SCHEMBL7530266 0.88 TRIM24 (0.36) TRIM24TRIM33ALDH1A1MAPTPDE4A
SCHEMBL2053848 0.88 TRIM24 (0.36) TRIM24TRIM33ALDH1A1MAPTPDE4A
SCHEMBL7532471 0.88 TRIM24 (0.36) TRIM24TRIM33ALDH1A1MAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173846-B2 Substituted cyclohexenones FIRMENICH SA (CH) 2012-05-08 US disclosed
US-8173846-B2 Substituted cyclohexenones FIRMENICH SA (CH) 2012-05-08 US disclosed
US-8173846-B2 Substituted cyclohexenones FIRMENICH SA (CH) 2012-05-08 US disclosed
EP-2247564-B1 SUBSTITUTED CYCLOHEXENONES FIRMENICH & CIE (CH) 2011-06-29 EP disclosed
EP-2247564-B1 SUBSTITUTED CYCLOHEXENONES FIRMENICH & CIE (CH) 2011-06-29 EP disclosed
EP-2247564-A1 SUBSTITUTED CYCLOHEXENONES Firmenich S.A. (CH) 2010-11-10 EP disclosed
US-20100274059-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2010-10-28 US disclosed
US-20100274059-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2010-10-28 US disclosed
US-20100274059-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2010-10-28 US disclosed
WO-2009095804-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2009-08-06 WO disclosed
WO-2009095804-A1 SUBSTITUTED CYCLOHEXENONES FIRMENICH SA (CH) 2009-08-06 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-20100274059-A1 SUBSTITUTED CYCLOHEXENONES OXER1, ORC3, OR10J3 TRIM24 3668/4885TRIM33 2859/4885ALDH1A1 175/4885

“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.