SCHEMBL2045005

SCHEMBL2045005

CCCCC1(CC)C(O)CCCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KCNH2 Q12809 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL28240027 0.73 ABL1 (0.38) KMT2AKCNH2
SCHEMBL1419990 0.71
SCHEMBL31386973 0.67 L3MBTL1 (0.38) BCHEMEN1KMT2AL3MBTL1TDP1
SCHEMBL3378191 0.67
SCHEMBL1190395 0.66 L3MBTL1 (0.33) MEN1KMT2AL3MBTL1TDP1
SCHEMBL6059240 0.65 L3MBTL1 (0.33) MEN1KMT2AL3MBTL1TDP1
SCHEMBL5166024 0.65 SIRT2 (0.33) MEN1KMT2AL3MBTL1TDP1
SCHEMBL8763574 0.64
SCHEMBL4204214 0.64 DPP4 (0.31)
SCHEMBL4789919 0.64 L3MBTL1 (0.30) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862442-A1 Insect repellent Fulltec GmbH (AT) 2015-04-22 EP disclosed
US-8642663-B2 Acetals as insect repellant agents BENCSITS FRANZ (AT) 2014-02-04 US disclosed
US-8481063-B2 Hydrated unsaturated monoterpenoid citron and carboxylic acid; citrolellal, isopulegol and/or p-menthenol mixture with lauric acid; applied to skin or clothing FULLTEC AG (CH) 2013-07-09 US disclosed
EP-1499193-B1 COMPOSITION CONTAINING CITRONELLA JAVA OIL AND USE THEREOF FOR REPELLING INSECTS FULLTEC AG (CH) 2011-06-08 EP disclosed
EP-1412314-B1 INSECT REPELLENT FULLTEC AG (CH) 2009-11-25 EP disclosed
EP-1567013-B1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2007-04-18 EP disclosed
US-7144591-B2 Composition containing citronella java oil and use thereof for repelling insects FULLTEC AG (CH) 2006-12-05 US disclosed
US-20050260239-A1 Composition containing citronella java oil and use thereof for repelling insects FULLTEC AG (CH) 2005-11-24 US disclosed
US-20050249767-A1 Acetals as insect repellant agents BENCSITS FRANZ 2005-11-10 US disclosed
EP-1499193-A1 COMPOSITION CONTAINING CITRONELLA JAVA OIL AND USE THEREOF FOR REPELLING INSECTS FULLTEC AG (CH) 2005-01-26 EP disclosed
US-20040265349-A1 Insect repellent FULLTEC AG (CH) 2004-12-30 US disclosed
WO-2003092383-A1 COMPOSITION CONTAINING CITRONELLA JAVA OIL AND USE THEREOF FOR REPELLING INSECTS FULLTEC AG (CH) 2003-11-13 WO 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 (2 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-20040265349-A1 Insect repellent WAPL, OSBP, NOTUM BCHE 135/4885MEN1 1333/4885KMT2A 2584/4885
US-20050249767-A1 Acetals as insect repellant agents API5, AADAC, NAAA BCHE 62/4885MEN1 2337/4885KMT2A 314/4885

“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.