SCHEMBL2384646

SCHEMBL2384646

O=Cc1ccccc1-c1ccc(OCC(O)CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM1A O60341 1/20 0.42
AR P10275 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
ALDH2 P05091 1/20 0.41
CYP1A2 P05177 3/20 0.41
KDM4E B2RXH2 2/20 0.41
AGTR1 P30556 1/20 0.41
LMNA P02545 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL11455057 0.78 KDM1A (0.57) TSHRMAPK1MAOAMAOBKMT2A
SCHEMBL27205115 0.78 ALDH1A1 (0.46) SMN1; SMN2LMNAMAPTHTTALDH1A1
SCHEMBL8811629 0.78 AR (0.56) TSHRMAPK1MAOAMAOBKMT2A
SCHEMBL28009606 0.77 ERN1 (0.49) MAPK1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL29031286 0.77 ALDH1A1 (0.59) TSHRMAPK1KMT2ASMN1; SMN2POLB
SCHEMBL2385805 0.77 XDH (0.40) XDH
SCHEMBL945328 0.77 ALDH1A1 (0.53) TSHRMAPK1KMT2AARSMN1; SMN2
SCHEMBL6228324 0.76 AR (0.61) TSHRMAPK1KMT2AARSMN1; SMN2
SCHEMBL18244276 0.75 HDAC3 (0.44) SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL10459148 0.75 ALDH1A1 (0.43) SMN1; SMN2POLBLMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2199273-B1 Polymerizable photoinitiators and radiation curable compositions AGFA NV (BE) 2018-02-21 EP disclosed
US-8492452-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-07-23 US disclosed
US-20110224324-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-09-15 US disclosed
WO-2010069758-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-06-24 WO disclosed
EP-2199273-A1 Polymerizable photoinitiators and radiation curable compositions AGFA Graphics NV (BE) 2010-06-23 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-20110224324-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS WEE1, ZYX, MTR TSHR 3503/4885MAPK1 3664/4885MAOA 2884/4885

“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.