SCHEMBL4022755

SCHEMBL4022755

C=CC(=O)C1=CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.53
HDAC4 P56524 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CTSK P43235 1/20 0.43
CCR2 P41597 1/20 0.36
AKT1 P31749 1/20 0.35
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
GSTP1 P09211 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
THRB P10828 3/20 0.32
THRA P10827 2/20 0.32
ACMSD Q8TDX5 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
SCHEMBL9573779 0.84
SCHEMBL3621384 0.83 HDAC2 (0.53) HDAC2HDAC4HDAC8HDAC6HDAC1
Acrylic Acid SCHEMBL11875949 0.82 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL3629130 0.82 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL12982446 0.80 HDAC4 (0.45) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL10689199 0.78 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL4194565 0.78 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6HDAC1
SCHEMBL22639095 0.77
SCHEMBL4104945 0.77
SCHEMBL324368 0.77 HDAC2 (0.61) HDAC2HDAC4HDAC8HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP claimed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US claimed
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP disclosed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US disclosed
CN-101466791-A Method of preventing the appearance of misting when coating flexible media with a crosslinkable liquid silicone composition in a multi-roll device BLUESTAR SILICONES FRANCE (FR) 2009-06-24 CN disclosed
CN-101443385-A Method for controlling onset of fog when coating flexible supports with a liquid silicone composition, in a cylinder-type device BLUESTAR SILICONES FRANCE (FR) 2009-05-27 CN disclosed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP disclosed
CN-100387668-C Epoxy compositions having improved shelf life and articles comprising the same 3M INNOVATIVE PROPERTIES CO (US) 2008-05-14 CN disclosed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 WO disclosed
CN-1324035-C Process for preparing organosilicon compounds WACKER CHEMIE GMBH (DE) 2007-07-04 CN disclosed
CN-1675330-A Epoxy compositions having improved shelf life and articles containing the same 3M INNOVATIVE PROPERTIES CO (US) 2005-09-28 CN disclosed
CN-1651440-A Process for preparing organosilicon compounds WACKER CHEMIE GMBH (DE) 2005-08-10 CN disclosed
US-4465695-A FLAVOR, AROMA ENHANCERS FOR FOODS, VITAMINS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-14 US disclosed
US-4416902-A Flavoring with cyclohexenyl-beta-methyl acrolein derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-11-22 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-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC HDAC2 1357/4885HDAC4 895/4885HDAC8 1464/4885

“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.