SCHEMBL2939739

SCHEMBL2939739

CCc1ccc(CNCCNCc2ccc(CC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
LMNA P02545 2/20 0.64
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
HRH4 Q9H3N8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CHRM2 P08172 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
APAF1 O14727 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL13186206 0.91 L3MBTL1 (0.56) L3MBTL1LMNAMEN1KMT2ATDP1
SCHEMBL13536962 0.90 L3MBTL1 (0.60) L3MBTL1LMNAMEN1KMT2ATDP1
SCHEMBL4396092 0.89 LMNA (0.77) L3MBTL1LMNAMEN1KMT2AHRH4
SCHEMBL8252697 0.86 L3MBTL1 (0.56) L3MBTL1LMNAMEN1KMT2ATDP1
SCHEMBL14524456 0.86 L3MBTL1 (0.56) L3MBTL1LMNAMEN1KMT2ATDP1
SCHEMBL10052932 0.84 LMNA (0.64) L3MBTL1LMNAMEN1KMT2AHRH4
SCHEMBL25018783 0.83 HRH4 (0.75) L3MBTL1LMNAHRH4HRH3CHRM2
SCHEMBL10875163 0.83 MC4R (0.54) L3MBTL1LMNATDP1HRH4HRH3
SCHEMBL21361201 0.83 HRH4 (0.75) L3MBTL1LMNAHRH4HRH3CHRM2
SCHEMBL8252520 0.83 L3MBTL1 (0.64) L3MBTL1LMNAMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP claimed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US claimed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP claimed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO claimed
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP disclosed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US disclosed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 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-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES PKM, APEH, PLG L3MBTL1 3862/4885LMNA 1672/4885MEN1 4140/4885

“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.