SCHEMBL2237686

SCHEMBL2237686

Cn1ccc(C(=O)OCc2ccccc2)c(OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
JMJD6 Q6NYC1 1/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 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
SCHEMBL17848969 0.92 KDM4E (0.47) ALDH1A1L3MBTL1TSHRKMT2AHPGD
SCHEMBL2240565 0.88 HPGD (0.44) ALDH1A1KMT2APOLBHPGDLMNA
SCHEMBL19709882 0.86 MAOB (0.48) ALDH1A1TDP1L3MBTL1KMT2AHPGD
SCHEMBL16789591 0.85 GLRA1 (0.47) ALDH1A1TSHRKMT2APOLBHPGD
SCHEMBL6865219 0.84 TDP1 (0.54) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL6865199 0.83 HPGD (0.38) ALDH1A1TSHRKMT2APOLBHPGD
SCHEMBL8333370 0.80 LIPG (0.47) ALDH1A1L3MBTL1TSHRKMT2ARAB9A
SCHEMBL16789584 0.80 ALDH1A1 (0.64) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL31354660 0.80 ALDH1A1 (0.64) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL6858810 0.79 LIPG (0.47) ALDH1A1KMT2ARAB9AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682430-B2 Alpha-emitting complexes BAYER AS (NO) 2020-06-16 US disclosed
EP-3417883-B1 TARGETED ALPHA-PARTICLE EMITTING COMPLEXES COMPRISING THORIUM RADIONUCLIDE AND HYDROXYPYRIDINONE CONTAINING LIGAND BAYER AS (NO) 2020-03-25 EP disclosed
EP-3417883-A1 TARGETED ALPHA-PARTICLE EMITTING COMPLEXES COMPRISING THORIUM RADIONUCLIDE AND HYDROXYPYRIDINONE CONTAINING LIGAND Bayer AS (NO) 2018-12-26 EP disclosed
EP-2533817-B1 TARGETED ALPHA-PARTICLE EMITTING COMPLEXES COMPRISING THORIUM RADIONUCLIDE AND HYDROXYPYRIDINONE CONTAINING LIGAND BAYER AS (NO) 2018-03-28 EP disclosed
US-20170319721-A1 ALPHA-EMITTING COMPLEXES BAYER AS (NO) 2017-11-09 US disclosed
US-9724436-B2 Alpha-emitting complexes BAYER AS (NO) 2017-08-08 US disclosed
US-9439984-B2 Macrocycles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-13 US disclosed
US-20150157746-A1 MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-11 US disclosed
US-20130183235-A1 ALPHA-EMITTING COMPLEXES ALGETA ASA (NO) 2013-07-18 US disclosed
WO-2011098611-A2 ALPHA-EMITTING COMPLEXES ALGETA AS (NO) 2011-08-18 WO disclosed
US-5892029-A HIGHLY EFFECTIVE UPON BOTH INJECTION AND ORAL ADMINISTRATION. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-04-06 US disclosed
EP-0840727-A1 3-HYDROXY-2(1H)-PYRIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-05-13 EP disclosed
US-5624901-A CARBAMOYL SUBSTITUTED COMPOUNDS FOR CHELATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-04-29 US disclosed
WO-1997000245-A1 3-HYDROXY-2(1H)-PYRIDINONE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-01-03 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 (4 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-20130183235-A1 ALPHA-EMITTING COMPLEXES TK1, KPNA1, HPRT1 ALDH1A1 1665/4885TDP1 211/4885L3MBTL1 794/4885
US-10682430-B2 Alpha-emitting complexes TK1, KPNA1, HPRT1 ALDH1A1 1665/4885TDP1 211/4885L3MBTL1 794/4885
US-20170319721-A1 ALPHA-EMITTING COMPLEXES TK1, KPNA1, HPRT1 ALDH1A1 1665/4885TDP1 211/4885L3MBTL1 794/4885
US-20150157746-A1 MACROCYCLES SLC39A14, SLC39A3, SLC40A1 ALDH1A1 3621/4885TDP1 3129/4885L3MBTL1 2812/4885

“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.