SCHEMBL11386689

SCHEMBL11386689

O=C1OC(=O)c2c(Sc3ccccc3)cccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ NSD2 O96028 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.40
▸ TYMS P04818 3/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HPGD P15428 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ DHFR P00374 1/20 0.34

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
SCHEMBL301317 0.87 TDP1 (0.48) MAPTKDM4ENSD2MAPK1TDP1
SCHEMBL15695595 0.81 KDM4E (0.42) MAPTKDM4ENSD2MAPK1TDP1
SCHEMBL4465042 0.79 MAPT (0.89) MAPTKDM4ENSD2MAPK1TDP1
SCHEMBL6910829 0.79 TDP1 (0.48) MAPTKDM4ENSD2MAPK1TDP1
SCHEMBL3459973 0.78 MAPT (1.00) MAPTKDM4ENSD2MAPK1TDP1
SCHEMBL29365916 0.78 MAPT (1.00) MAPTKDM4ENSD2MAPK1TDP1
SCHEMBL30475313 0.76 MAPT (0.89) MAPTKDM4ENSD2MAPK1TDP1
SCHEMBL285567 0.76 MAPT (0.89) MAPTKDM4ENSD2MAPK1TDP1
Anthraquinone SCHEMBL11411972 0.76 MAPT (0.89) MAPTKDM4ENSD2MAPK1TDP1
SCHEMBL17292796 0.76 MAPK1 (0.59) MAPTKDM4ENSD2MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536217-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-17 — — US disclosed
US-8536217-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-17 — — US disclosed
US-8530510-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-10 — — US disclosed
US-8530510-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-10 — — US disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 — — US disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 — — US disclosed
US-20110159203-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-06-30 — — US disclosed
US-20110159203-A1 RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-06-30 — — US disclosed
US-4250007-A Photocurable acrylic phosphate esters of epoxidized polybutadiene UBE INDUSTRIES, LTD. (JP) 1981-02-10 — — 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-20110159203-A1 RADIATION CURABLE COMPOSITIONS CCNH, ERH, RAD1 MAPT 104/4885KDM4E 1800/4885NSD2 641/4885
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS RAD52, CCNH, TOP2B MAPT 119/4885KDM4E 1114/4885NSD2 559/4885

“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.

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