SCHEMBL114623

SCHEMBL114623

CC(C)c1cc(OCC(=O)O)cc2c(=O)c3ccccc3sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.46
PTPN2 P17706 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
HCRTR1 O43613 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 6/20 0.42
THRA P10827 5/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPRC P08575 1/20 0.41
PTPRF P10586 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
PTPN6 P29350 1/20 0.41
DUSP3 P51452 1/20 0.41

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
SCHEMBL10001851 0.87 ALDH1A1 (0.43) PTPN1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL10001852 0.85 ALDH1A1 (0.39) PTPN1PTPN2ALDH1A1MAPTL3MBTL1
SCHEMBL13066070 0.85 ALDH1A1 (0.59) PTPN1PTPN2ALDH1A1MAPTL3MBTL1
SCHEMBL13066400 0.84 ALDH1A1 (0.38) PTPN1PTPN2ALDH1A1MAPTL3MBTL1
SCHEMBL28997534 0.83 PTPN1 (0.50) PTPN1PTPN2ALDH1A1MAPTL3MBTL1
SCHEMBL24949285 0.83 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1LMNAHCRTR1
SCHEMBL10001850 0.79 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1LMNAHCRTR1
SCHEMBL13066288 0.78 ALDH1A1 (0.52) PTPN1PTPN2ALDH1A1MAPTL3MBTL1
SCHEMBL30267109 0.78 KDM4E (0.61) PTPN1PTPN2ALDH1A1MAPTL3MBTL1
SCHEMBL112717 0.78 KDM4E (0.61) PTPN1PTPN2ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424855-B1 NEW PHOTOINITIATORS SIEGWERK DRUCKFARBEN AG & CO KGAA (DE) 2013-12-25 EP disclosed
US-8598249-B2 Photoinitiators SIEGWERK DRUCKFARBEN AG & CO. KGAA (DE) 2013-12-03 US disclosed
EP-2424855-A1 NEW PHOTOINITIATORS Siegwerk Benelux SA (BE) 2012-03-07 EP disclosed
US-20120046377-A1 Photoinitiators SIEGWERK BENELUX SA (BG) 2012-02-23 US disclosed
US-20120046377-A1 Photoinitiators SIEGWERK BENELUX SA (BG) 2012-02-23 US disclosed
US-20120046377-A1 Photoinitiators SIEGWERK BENELUX SA (BG) 2012-02-23 US disclosed
WO-2010124950-A1 NEW PHOTOINITIATORS SIEGWERK BENELUX SA (BE) 2010-11-04 WO disclosed
WO-2010124950-A1 NEW PHOTOINITIATORS SIEGWERK BENELUX SA (BE) 2010-11-04 WO disclosed
EP-2246330-A1 New photoinitiators Siegwerk Benelux SA (BE) 2010-11-03 EP disclosed
EP-2246330-A1 New photoinitiators Siegwerk Benelux SA (BE) 2010-11-03 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-20120046377-A1 Photoinitiators PPOX, AAAS, CRY1 PTPN1 3736/4885PTPN2 2823/4885ALDH1A1 1047/4885

“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.