SCHEMBL4396522

SCHEMBL4396522

O=C1CCCN1CCNCCN1CCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
TSHR P16473 3/20 0.51
PIK3CD O00329 1/20 0.48
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP2C19 P33261 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43

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
Hydrochloric Acid SCHEMBL10380721 0.92 KMT2A (0.53) KMT2ATSHRPIK3CDMEN1PKM
SCHEMBL22762568 0.91 KMT2A (0.55) KMT2ATSHRPIK3CDMEN1PKM
SCHEMBL5476779 0.91 KMT2A (0.55) KMT2ATSHRPIK3CDMEN1PKM
SCHEMBL14967488 0.89 KMT2A (0.50) KMT2ATSHRPIK3CDMEN1PKM
SCHEMBL12750454 0.88 KMT2A (0.57) KMT2ATSHRPIK3CDMEN1PKM
SCHEMBL4394146 0.88 KMT2A (0.52) KMT2ATSHRMEN1POLBTDP1
SCHEMBL14967490 0.88 KMT2A (0.53) KMT2ATSHRMEN1PKMPOLB
SCHEMBL4398015 0.86 KMT2A (0.50) KMT2ATSHRPIK3CDMEN1POLB
SCHEMBL4416421 0.85 KMT2A (0.50) KMT2ATSHRPIK3CD
SCHEMBL10388581 0.85 KMT2A (0.50) KMT2ATSHRMEN1PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108587377-B Environment-friendly water-based paint and preparation method thereof 台州山水造漆工业有限公司 2020-11-24 CN claimed
CN-108587377-B Environment-friendly water-based paint and preparation method thereof 台州山水造漆工业有限公司 2020-11-24 CN disclosed
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 KMT2A 3032/4885TSHR 3610/4885PIK3CD 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.