SCHEMBL4422406

SCHEMBL4422406

CC#CC1(O)CCCCCCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.42
PAX8 Q06710 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL6456132 1.00 ALDH1A1 (0.48) ALDH1A1NPSR1PAX8CTDSP1
SCHEMBL1966547 1.00 ALDH1A1 (0.48) ALDH1A1NPSR1PAX8CTDSP1
SCHEMBL11774123 1.00 ALDH1A1 (0.48) ALDH1A1NPSR1PAX8CTDSP1
SCHEMBL11773747 1.00 ALDH1A1 (0.48) ALDH1A1NPSR1PAX8CTDSP1
SCHEMBL1964310 0.97
SCHEMBL11772816 0.92
SCHEMBL11773472 0.85
SCHEMBL949427 0.82 ALDH1A1 (0.58) ALDH1A1NPSR1PAX8CTDSP1
SCHEMBL947101 0.78 ALDH1A1 (0.53) ALDH1A1NPSR1PAX8CTDSP1
SCHEMBL6740183 0.77 ALDH1A1 (0.52) ALDH1A1NPSR1PAX8CTDSP1

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 5 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
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

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 ALDH1A1 71/4885NPSR1 2908/4885PAX8 4753/4885

“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.