SCHEMBL4396508

SCHEMBL4396508

O=C1CCCN1CNCN1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
TSHR P16473 2/20 0.50
CHRM2 P08172 3/20 0.47
CHRM5 P08912 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM4 P08173 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
APEX1 P27695 2/20 0.43
PMP22 Q01453 2/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 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
SCHEMBL13811581 0.87 PIK3CD (0.50) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL1306684 0.83 PIK3CD (0.46) PIK3CDTSHRCHRM2CHRM5CHRM1
Hydrochloric Acid SCHEMBL10380617 0.82 TSHR (0.44) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9684772 0.82 PIK3CD (0.42) PIK3CDTSHRKMT2AALDH1A1
SCHEMBL9683080 0.82 PIK3CD (0.42) PIK3CDTSHRKMT2AALDH1A1
SCHEMBL23599043 0.82
Imuracetam SCHEMBL1660951 0.79 KMT2A (0.56) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL1306680 0.79 CHRM2 (0.46) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL4394146 0.79 KMT2A (0.52) TSHRKMT2AALDH1A1MEN1POLB
SCHEMBL9461580 0.78 L3MBTL1 (0.55) TSHRKMT2AHTTALDH1A1LMNA

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 PIK3CD 3800/4885TSHR 3610/4885CHRM2 226/4885

“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.