SCHEMBL123559

SCHEMBL123559

[2H]B=C1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CDC25B P30305 4/20 0.55
MAPT P10636 5/20 0.52
APAF1 O14727 4/20 0.52
RAB9A P51151 4/20 0.52
S100A4 P26447 4/20 0.52
MAOA P21397 4/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 3/20 0.52
BLM P54132 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 3/20 0.52
TDP2 O95551 2/20 0.52
NPC1 O15118 2/20 0.52
THRB P10828 2/20 0.52
HTT P42858 2/20 0.52
GALK1 P51570 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 2/20 0.52

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
Anthraquinone SCHEMBL1901249 0.73 MEN1 (1.00) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL14943 0.73 MEN1 (1.00) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL29358690 0.73 MEN1 (1.00) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL28565403 0.71 MEN1 (0.80) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL10905960 0.70 MEN1 (0.92) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL6415478 0.70 MEN1 (0.92) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL11300863 0.70 MEN1 (0.92) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL8081485 0.70 MEN1 (0.92) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL7205968 0.70 MEN1 (0.92) MEN1KMT2ACDC25BMAPTAPAF1
Anthraquinone SCHEMBL394493 0.70 MEN1 (0.92) MEN1KMT2ACDC25BMAPTAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 US 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 (2 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 MEN1 4480/4885KMT2A 3041/4885CDC25B 2947/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS MEN1 4473/4885KMT2A 2961/4885CDC25B 2874/4885

“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.