SCHEMBL1685303

SCHEMBL1685303

COc1cccc2cccc(-c3ccccc3N)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
TDP1 Q9NUW8 2/20 0.53
ADRA2B P18089 1/20 0.53
PTGS1 P23219 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 4/20 0.45
DCPS Q96C86 1/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 5/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 4/20 0.42
MCHR1 Q99705 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL24384353 0.91 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1L3MBTL1
SCHEMBL1685293 0.86 ALDH1A1 (0.53) ALDH1A1TDP1ADRA2BPTGS1L3MBTL1
SCHEMBL32674283 0.83 ALDH1A1 (0.58) ALDH1A1TDP1ADRA2BPTGS1MEN1
SCHEMBL1803794 0.83 ALDH1A1 (0.58) ALDH1A1TDP1ADRA2BPTGS1MEN1
SCHEMBL395260 0.81 ALDH1A1 (0.67) ALDH1A1TDP1ADRA2BPTGS1L3MBTL1
SCHEMBL18479741 0.80 PPARG (0.53) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL396830 0.80 ALDH1A1 (0.55) ALDH1A1TDP1ADRA2BPTGS1L3MBTL1
SCHEMBL3781068 0.79 ALDH1A1 (0.59) ALDH1A1TDP1ADRA2BPTGS1L3MBTL1
SCHEMBL17927356 0.78 ALDH1A1 (0.57) ALDH1A1TDP1ADRA2BPTGS1L3MBTL1
SCHEMBL18550731 0.78 ALDH1A1 (0.57) ALDH1A1TDP1ADRA2BPTGS1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174928-B1 TRANSITION METAL COMPLEX COMPOUND, OLEFIN OLIGOMERIZATION CATALYST CONTAINING THE COMPOUND, AND METHOD FOR PRODUCING OLEFIN OLIGOMER PERFORMED IN THE PRESENCE OF THE CATALYST MITSUI CHEMICALS INC (JP) 2015-03-11 EP disclosed
US-8258361-B2 Transition metal complex compounds, olefin oligomerization catalysts including the compounds, and processes for producing olefin oligomers using the catalysts MITSUI CHEMICALS, INC. (JP) 2012-09-04 US disclosed
US-20110082325-A1 TRANSITION METAL COMPLEX COMPOUNDS, OLEFIN OLIGOMERIZATION CATALYSTS INCLUDING THE COMPOUNDS, AND PROCESSES FOR PRODUCING OLEFIN OLIGOMERS USING THE CATALYSTS MITSUI CHEMICALS, INC. 2011-04-07 US disclosed
EP-2174928-A1 TRANSITION METAL COMPLEX COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE COMPOUND, AND METHOD FOR PRODUCING OLEFIN POLYMER PERFORMED IN THE PRESENCE OF THE CATALYST Mitsui Chemicals, Inc. (JP) 2010-04-14 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-20110082325-A1 TRANSITION METAL COMPLEX COMPOUNDS, OLEFIN OLIGOMERIZATION CATALYSTS INCLUDING THE COMPOUNDS, AND PROCESSES FOR PRODUCING OLEFIN OLIGOMERS USING THE CATALYSTS OSTC, COG4, COG7 ALDH1A1 2282/4885TDP1 3103/4885ADRA2B 4317/4885

“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.