SCHEMBL1979651

SCHEMBL1979651

CCCCC(CC)Cn1c2ccccc2c2cc(C(=O)C(=O)OCC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CNR2 P34972 11/20 0.47
NPC1 O15118 3/20 0.46
SCARB1 Q8WTV0 1/20 0.45
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 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
SCHEMBL12597391 0.95 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL1978488 0.91 CNR2 (0.52) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL13640233 0.91 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL18807690 0.91 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL18807691 0.90 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL28946332 0.87 KDM4E (0.54) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL14212160 0.87 ALDH1A1 (0.37) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL12596931 0.86 CNR2 (0.40) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL24494686 0.83 CNR2 (0.61) ALDH1A1HPGDKDM4ECNR2NPC1
SCHEMBL1978510 0.83 CNR2 (0.68) ALDH1A1HPGDKDM4ECNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509948-B1 PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS AGFA GRAPHICS NV (BE) 2017-05-03 EP disclosed
US-8957224-B2 Photoinitiators for UV-LED curable compositions and inks AGFA GRAPHICS NV (BE) 2015-02-17 US disclosed
US-8957224-B2 Photoinitiators for UV-LED curable compositions and inks AGFA GRAPHICS NV (BE) 2015-02-17 US disclosed
US-20120309861-A1 PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS AGFA-GEVAERT N.V. (BE) 2012-12-06 US disclosed
US-20120309861-A1 PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS AGFA-GEVAERT N.V. (BE) 2012-12-06 US disclosed
EP-2509948-A1 PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS Agfa-Gevaert (BE) 2012-10-17 EP disclosed
WO-2011069947-A1 PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS AGFA-GEVAERT (BE) 2011-06-16 WO disclosed
WO-2011069947-A1 PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS AGFA-GEVAERT (BE) 2011-06-16 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-20120309861-A1 PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS WEE1, CBX4, USP9X ALDH1A1 1029/4885HPGD 3146/4885KDM4E 1156/4885

“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.