SCHEMBL4414709

SCHEMBL4414709

C#CC1(O)CCCCCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL36060 1.00
SCHEMBL27743621 1.00 ALDH1A1 (0.52) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL234923 1.00 ALDH1A1 (0.52) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL4418020 1.00 ALDH1A1 (0.52) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL12948617 1.00 ALDH1A1 (0.52) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL31315866 1.00 ALDH1A1 (0.52) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL237148 1.00 ALDH1A1 (0.52) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL9841137 1.00 ALDH1A1 (0.52) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL4455914 0.97 ALDH1A1 (0.50) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL8204435 0.97

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 11 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
CN-100371311-C Method for producing macrocyclic ketones GIVAUDAN SA (CH) 2008-02-27 CN disclosed
CN-1824636-A Method for producing macrocyclic ketones GIVAUDAN SA (CH) 2006-08-30 CN disclosed
CN-1255368-C Process for preparing macrocyclic ketones GIVAUDAN SA (CH) 2006-05-10 CN 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
CN-1489566-A Process for preparing macrocyclic ketones ����µ��ɷ����޹�˾ 2004-04-14 CN 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
US-4393245-A 1-ACETYL-1-CYCLODODECENE BASF AKTIENGESELLSCHAFT (DE) 1983-07-12 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 71/4885MEN1 1444/4885POLB 619/4885

“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.