SCHEMBL2385800

SCHEMBL2385800

O=Cc1ccc(-c2cccc(OCCC(O)O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.56
ERN1 O75460 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
LTA4H P09960 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
BACE1 P56817 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL416498 0.81 ERN1 (0.56) DRD1ERN1RXRARXRBLTA4H
SCHEMBL13618270 0.80 DRD1 (0.55) DRD1ERN1RXRARXRBFFAR4
SCHEMBL14195860 0.79 DRD1 (0.54) DRD1ERN1RXRARXRBHDAC1
SCHEMBL17157579 0.78 RXRA (0.61) DRD1RXRARXRBFFAR1
SCHEMBL13617789 0.78 TSHR (0.52) DRD1ERN1HDAC1HDAC2
SCHEMBL13617907 0.78 TSHR (0.52) DRD1ERN1HDAC1HDAC2
SCHEMBL13536784 0.77 DRD1 (0.51) DRD1ERN1RXRARXRBFFAR4
SCHEMBL22926134 0.73 DRD1 (0.54) DRD1FFAR4FFAR1BACE1PPARD
SCHEMBL17583676 0.72 MAOA (0.48) DRD1ERN1HDAC1HDAC2TRIM24
SCHEMBL2581063 0.72 DRD1 (0.64) DRD1ERN1MAOB

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 DRD1 3248/4885ERN1 3360/4885RXRA 2111/4885

“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.