SCHEMBL11036906

SCHEMBL11036906

COC(=O)/C(C)=C/N(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 2/20 0.38
DNMT1 P26358 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL13706803 1.00 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL769036 1.00 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL6167486 0.86 ALDH1A1 (0.37) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL14279226 0.82 POLB (0.42) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL27880913 0.78 ALDH1A1 (0.41) ALDH1A1TDP1CYP2C9
Trimethylammonium SCHEMBL27871906 0.77 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL365556 0.77 MAPT (0.40) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL841854 0.76 POLB (0.41) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL15075199 0.76 POLB (0.41) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL841855 0.76 POLB (0.41) ALDH1A1POLBMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029443-B1 PROCESS FOR COMPOSITE POLYMER BEADS ICI AUSTRALIA LIMITED (AU) 1984-05-16 EP claimed
EP-0029443-A4 PROCESS FOR COMPOSITE POLYMER BEADS. ICI AUSTRALIA LTD (AU) 1981-09-21 EP claimed
EP-0029443-A1 PROCESS FOR COMPOSITE POLYMER BEADS. ICI AUSTRALIA LTD (AU) 1981-06-03 EP claimed
WO-1980002687-A1 PROCESS FOR COMPOSITE POLYMER BEADS ICI AUSTRALIA LTD (AU) 1980-12-11 WO claimed
US-9403827-B2 Substituted purinone compounds NOVARTIS AG (CH) 2016-08-02 US disclosed
US-20150353551-A1 SUBSTITUTED PURINONE COMPOUNDS NOVARTIS AG (CH) 2015-12-10 US disclosed
EP-0029443-B1 PROCESS FOR COMPOSITE POLYMER BEADS ICI AUSTRALIA LIMITED (AU) 1984-05-16 EP disclosed
US-4447475-A MIXING DISPERSION OF PARTICLES IN CROSSLINKED STYRENE POLYMER MATRIX WITH DISPERSANT AND SUSPENSION STABILIZER ICI AUSTRALIA LIMITED (AU) 1984-05-08 US disclosed
EP-0029443-A4 PROCESS FOR COMPOSITE POLYMER BEADS. ICI AUSTRALIA LTD (AU) 1981-09-21 EP disclosed
EP-0029443-A1 PROCESS FOR COMPOSITE POLYMER BEADS. ICI AUSTRALIA LTD (AU) 1981-06-03 EP disclosed
WO-1980002687-A1 PROCESS FOR COMPOSITE POLYMER BEADS ICI AUSTRALIA LTD (AU) 1980-12-11 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-20150353551-A1 SUBSTITUTED PURINONE COMPOUNDS MDM2, MDM4, TP53 ALDH1A1 698/4885POLB 446/4885MEN1 225/4885

“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.