SCHEMBL229440

SCHEMBL229440

CC(C)CCCC(C)CCOCC=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
PTPN1 P18031 2/20 0.41
BLM P54132 1/20 0.41
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
FDPS P14324 1/20 0.32
EGFR P00533 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
SCHEMBL2560261 0.84 TDP1 (0.34) LMNAPTPN1TDP1
SCHEMBL2559786 0.83
SCHEMBL6535475 0.81 LMNA (0.65) LMNAPTPN1BLMMEN1CYP3A4
SCHEMBL16335543 0.81 LMNA (0.65) LMNAPTPN1BLMMEN1CYP3A4
SCHEMBL16377876 0.81 LMNA (0.65) LMNAPTPN1BLMMEN1CYP3A4
SCHEMBL21339941 0.81 LMNA (0.48) LMNAPTPN1BLMMEN1CYP3A4
SCHEMBL25700335 0.80 TDP1 (0.33) LMNAPTPN1TDP1
SCHEMBL16378049 0.79 LMNA (0.62) LMNAPTPN1BLMMEN1CYP3A4
SCHEMBL13286578 0.79 LMNA (0.62) LMNAPTPN1BLMMEN1CYP3A4
SCHEMBL13286553 0.79 LMNA (0.62) LMNAPTPN1BLMMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP claimed
EP-2408889-B1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO KGAA (DE) 2012-12-26 EP claimed
EP-2408889-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT Henkel AG & Co. KGaA (DE) 2012-01-25 EP claimed
US-20120003326-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2012-01-05 US claimed
WO-2010105949-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2010-09-23 WO claimed
EP-2594626-B1 Use of oxyacetaldehyde as lily of the valley fragrance SYMRISE AG (DE) 2014-06-25 EP disclosed
EP-2594626-B1 Use of oxyacetaldehyde as lily of the valley fragrance SYMRISE AG (DE) 2014-06-25 EP disclosed
EP-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP disclosed
EP-2594626-A1 Use of oxyacetaldehyde as lily of the valley fragrance Symrise AG (DE) 2013-05-22 EP disclosed
EP-2408889-B1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO KGAA (DE) 2012-12-26 EP disclosed
WO-2012107113-A1 FUNCTIONAL INK HENKEL AG & CO. KGAA (DE) 2012-08-16 WO disclosed
EP-2408889-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT Henkel AG & Co. KGaA (DE) 2012-01-25 EP disclosed
US-20120003326-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2012-01-05 US disclosed
WO-2010105949-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2010-09-23 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 (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-20120003326-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT CAT, GPX4, WASHC4 LMNA 3848/4885PTPN1 1990/4885BLM 1347/4885

“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.