SCHEMBL4419905

SCHEMBL4419905

CCC1CCCCCCCCCCCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA4 P22748 5/20 0.48
CA6 P23280 4/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL2690321 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL7704612 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL2691839 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL3878315 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL27081209 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL11300049 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA6
SCHEMBL200410 0.98
Cyclohexanone SCHEMBL4581972 0.94 KMT2A (0.47) KMT2ACA1CA2CA4CA6
Methylene Chloride SCHEMBL28137470 0.91 CA1 (0.45) KMT2ACA1CA2CA4CA6
SCHEMBL21006006 0.91

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 KMT2A 3232/4885CA1 1351/4885CA2 3123/4885

“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.