SCHEMBL13640233

SCHEMBL13640233

CCCCC(CC)Cn1c2ccc(C(=O)C(C)=O)cc2c2cc(C(=O)C(=O)OCC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CNR2 P34972 4/20 0.36
SCARB1 Q8WTV0 1/20 0.36
CA2 P00918 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 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
SCHEMBL12597391 0.96 ALDH1A1 (0.42) ALDH1A1MAPK1TSHRHPGDNPC1
SCHEMBL18807690 0.94 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRHPGDNPC1
SCHEMBL1979651 0.91 ALDH1A1 (0.47) ALDH1A1MAPK1HPGDNPC1KDM4E
SCHEMBL18807691 0.91 ALDH1A1 (0.39) ALDH1A1MAPK1TSHRHPGDNPC1
SCHEMBL1978488 0.88 CNR2 (0.52) ALDH1A1MAPK1TSHRHPGDNPC1
SCHEMBL14212160 0.88 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRHPGDNPC1
SCHEMBL12596931 0.85 CNR2 (0.40) ALDH1A1MAPK1TSHRHPGDNPC1
SCHEMBL13640282 0.84 KDM4E (0.38) ALDH1A1MAPK1TSHRHPGDNPC1
SCHEMBL13640699 0.83 ALDH1A1 (0.39) ALDH1A1MAPK1TSHRHPGDNPC1
SCHEMBL12596941 0.82 ALDH1A1 (0.37) ALDH1A1MAPK1TSHRHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121529-A1 SOLVENT RESISTANT POLYMERIC MEMBRANES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2017-05-04 US disclosed
US-20150291843-A1 SOLVENT RESISTANT POLYMERIC MEMBRANES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-15 US disclosed
US-8957224-B2 Photoinitiators for UV-LED curable compositions and inks AGFA GRAPHICS NV (BE) 2015-02-17 US disclosed
US-8569393-B2 UV-LED curable compositions and inks AGFA-GEVAERT N.V. (BE) 2013-10-29 US disclosed
US-20120309861-A1 PHOTOINITIATORS FOR UV-LED CURABLE COMPOSITIONS AND INKS AGFA-GEVAERT N.V. (BE) 2012-12-06 US disclosed
US-20120283349-A1 UV-LED CURABLE COMPOSITIONS AND INKS AGFA-GEVAERT N.V. (BE) 2012-11-08 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 (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 1029/4885MAPK1 4340/4885TSHR 4726/4885

“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.