SCHEMBL277597

SCHEMBL277597

Cc1ccc(C(=O)OC(C)(C)C)cc1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SLC7A5 Q01650 1/20 0.41
SRD5A1 P18405 1/20 0.41
ALOX15 P16050 1/20 0.40
HTR7 P34969 1/20 0.39
ELANE P08246 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL3990255 0.92 KDM4E (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15701587 0.92 NOTUM (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1367340 0.90 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1606267 0.90 TSHR (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL828480 0.85 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13948752 0.85 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3990274 0.84 MAPT (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17184949 0.82 CA12 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15105925 0.82 EGFR (0.48) GABRA1GABRG2GABRB3GABRA3CA12
SCHEMBL16502360 0.81 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GABRA1 735/4885GABRG2 434/4885GABRB3 408/4885

“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.