SCHEMBL4398012

SCHEMBL4398012

O=C1CCCN1CCCC[N]CCCCN1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 6/20 0.44
ADRA1A P35348 2/20 0.44
PIK3CD O00329 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4394145 0.94 KMT2A (0.47) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL19514132 0.90 PIK3CD (0.52) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL5697292 0.90 PIK3CD (0.52) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL31632694 0.90 PIK3CD (0.52) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL989008 0.90 PIK3CD (0.52) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL10481722 0.88 PIK3CD (0.50) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL4396518 0.86 PIK3CD (0.48) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL28532120 0.85 ADRA1B (0.43) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL5424673 0.83 PIK3CD (0.54) ADRA1BADRA1APIK3CDKMT2AMEN1
SCHEMBL22799156 0.81 KMT2A (0.47) ADRA1BADRA1APIK3CDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 ADRA1B 1531/4885ADRA1A 1933/4885PIK3CD 3800/4885

“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.