SCHEMBL4418565

SCHEMBL4418565

CCCCCCCCCCCC(=O)C1=CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTSK P43235 1/20 0.43
NAAA Q02083 2/20 0.42
PLA2G2A P14555 2/20 0.42
PLA2G5 P39877 2/20 0.42
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL10170100 1.00 HSD17B3 (0.44) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL13458775 1.00 HSD17B3 (0.44) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL10490055 1.00 HSD17B3 (0.44) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL28238341 0.98 HDAC4 (0.44) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL9070599 0.88 HDAC4 (0.44) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL3938618 0.86 HDAC2 (0.48) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL11179047 0.84 HDAC4 (0.47) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL11179042 0.84 HDAC4 (0.47) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL11179045 0.84 HDAC4 (0.47) HSD17B3HDAC4HDAC2HDAC8HDAC6
SCHEMBL13039628 0.82 HDAC2 (0.55) HDAC4HDAC2HDAC8HDAC6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362023-B1 METHOD FOR PRODUCING MACROCYCLIC KETONES GIVAUDAN SA (CH) 2009-04-15 EP disclosed
US-6951964-B2 Method for producing macrocyclic ketones GIVAUDAN SA (CH) 2005-10-04 US disclosed
US-20040082816-A1 Method for producting macrocyclic ketones GIVAUDAN SA (CH) 2004-04-29 US disclosed
EP-1362023-A1 METHOD FOR PRODUCING MACROCYCLIC KETONES Givaudan SA (CH) 2003-11-19 EP disclosed
WO-2002068372-A1 METHOD FOR PRODUCING MACROCYCLIC KETONES GIVAUDAN SA (CH) 2002-09-06 WO disclosed
EP-1236707-A1 Process for the preparation of macrocyclic ketones Givaudan SA (CH) 2002-09-04 EP 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-20040082816-A1 Method for producting macrocyclic ketones ADH1C, ADH1A, AKR1C3 HSD17B3 149/4885HDAC4 3241/4885HDAC2 1765/4885

“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.