SCHEMBL277628

SCHEMBL277628

CCOC(=O)c1cc(C(=O)OCC)c(I)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL12123472 0.87 TSHR (0.55) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL71222 0.85 TSHR (0.57) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL14392488 0.82 TSHR (0.50) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL2269412 0.80 TSHR (0.52) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL24633176 0.79 TSHR (0.50) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL15025214 0.79 GAA (0.53) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL30931257 0.79 TSHR (0.50) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL7570621 0.79 TSHR (0.59) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL22208578 0.79 CA12 (0.54) TSHRALDH1A1MAPTLMNAL3MBTL1
SCHEMBL11763447 0.79 TSHR (0.59) TSHRALDH1A1MAPTLMNAL3MBTL1

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-2360161-B1 Preparation and use of magnesium amides MUNICHEM GMBH (DE) 2016-08-31 EP disclosed
US-8134005-B2 Preparation and use of magnesium amides Ludwig-Maximilians-Universitat München (DE) 2012-03-13 US disclosed
US-20100144516-A1 PREPARATION AND USE OF MAGNESIUM AMIDES LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-06-10 US disclosed
US-20090176988-A1 Preparation and Use of Magnesium Amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUENCHEN (DE) 2009-07-09 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-20090176988-A1 Preparation and Use of Magnesium Amides MLX, GLRX3, SFXN3 TSHR 49/4885ALDH1A1 4089/4885MAPT 4467/4885

“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.