SCHEMBL3112434

SCHEMBL3112434

CCCC(CC(=O)CC)=NO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
FFAR3 O14843 3/20 0.35
CTSD P07339 1/20 0.34
TSHR P16473 1/20 0.33
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3112427 1.00 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11567005 0.83 TDP1 (0.45) TDP1ALDH1A1FFAR3
SCHEMBL21192575 0.77 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21192574 0.77 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL640375 0.75
SCHEMBL9005200 0.75
SCHEMBL640374 0.75
SCHEMBL758250 0.74
SCHEMBL31302963 0.74 CES2 (0.48) TDP1ALDH1A1CES2CES1TSHR
SCHEMBL9210840 0.72 GAA (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6

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
EP-2257284-A2 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MARY KAY INC. (US) 2010-12-08 EP claimed
WO-2009099890-A2 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MARY KAY INC. (US) 2009-08-13 WO claimed
US-20090197939-A1 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MARY KAY INC. (US) 2009-08-06 US claimed
US-12280017-B2 Methods of treating skin with aromatic skin-active ingredients MARY KAY INC. (US) 2025-04-22 US disclosed
US-20190314295-A1 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MARY KAY INC. 2019-10-17 US disclosed
US-8399521-B2 Methods of treating skin with aromatic skin-active ingredients MARY KAY INC. (US) 2013-03-19 US disclosed
US-20100249222-A1 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MARY KAY INC. (US) 2010-09-30 US disclosed
US-20090197939-A1 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MARY KAY INC. (US) 2009-08-06 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 (4 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-20090197939-A1 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MMP8, LOX, TYR HDAC3 1946/4885HDAC1 963/4885HDAC2 1154/4885
US-12280017-B2 Methods of treating skin with aromatic skin-active ingredients MMP9, MMP1, MMP17 HDAC3 463/4885HDAC1 276/4885HDAC2 481/4885
US-20190314295-A1 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MMP9, MMP1, MMP17 HDAC3 463/4885HDAC1 276/4885HDAC2 481/4885
US-20100249222-A1 METHODS OF TREATING SKIN WITH AROMATIC SKIN-ACTIVE INGREDIENTS MMP8, LOX, TYR HDAC3 1946/4885HDAC1 963/4885HDAC2 1154/4885

“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.