SCHEMBL4416309

SCHEMBL4416309

CC1CCCCCCCCCCC(=O)CC1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TRIM24 O15164 2/20 0.43
TRIM33 Q9UPN9 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
THRB P10828 1/20 0.34
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
EPHX1 P07099 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL7941523 1.00 KMT2A (0.46) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL22236194 0.91 TRIM24 (0.53) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL12650057 0.86 TRIM24 (0.55) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL7940476 0.84 TRIM24 (0.52) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL12844398 0.84 KMT2A (0.41) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL7145748 0.83 TRIM24 (0.34) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL22235985 0.81 KMT2A (0.38) KMT2ATRIM24TRIM33ALDH1A1CA1
SCHEMBL14551906 0.80
SCHEMBL7714747 0.80
SCHEMBL1771596 0.80

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 10 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 claimed
US-6951964-B2 Method for producing macrocyclic ketones GIVAUDAN SA (CH) 2005-10-04 US claimed
US-20040082816-A1 Method for producting macrocyclic ketones GIVAUDAN SA (CH) 2004-04-29 US claimed
EP-1236707-A1 Process for the preparation of macrocyclic ketones Givaudan SA (CH) 2002-09-04 EP claimed
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 KMT2A 3232/4885TRIM24 3080/4885TRIM33 4354/4885

“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.