SCHEMBL12538260

SCHEMBL12538260

CC(=O)OC(=O)N1CCCCC1.[Ga]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 2/20 0.41
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL26110865 0.98 ALDH1A1 (0.47) ALDH1A1POLBHPGDHSD11B1SMN1; SMN2
SCHEMBL28195034 0.95 ALDH1A1 (0.43) ALDH1A1POLBHPGDHSD11B1SMN1; SMN2
SCHEMBL4749718 0.85 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2TSHRMAPT
SCHEMBL30443406 0.83 ALDH1A1 (0.54) ALDH1A1POLBHPGDHSD11B1SMN1; SMN2
SCHEMBL12827299 0.78 ALDH1A1 (0.42) ALDH1A1POLBHPGDHSD11B1SMN1; SMN2
SCHEMBL6697255 0.78 ALDH1A1 (0.50) ALDH1A1POLBHPGDHSD11B1SMN1; SMN2
SCHEMBL6932584 0.77 TDP1 (0.56) ALDH1A1POLBHSD11B1TSHRMAPT
SCHEMBL13385998 0.77 TDP1 (0.44) ALDH1A1POLBHPGDHSD11B1SMN1; SMN2
SCHEMBL28771185 0.76 ALDH1A1 (0.44) ALDH1A1POLBHPGDHSD11B1SMN1; SMN2
SCHEMBL7575410 0.76 CHRNB2 (0.47) ALDH1A1HPGDHSD11B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688563-B1 GALLIUM COMPLEXES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE ODONATE THERAPEUTICS LLC (US) 2017-03-15 EP disclosed
US-20150175631-A1 Gallium Complexes, Pharmaceutical Compositions and Methods of Use ODONATE THERAPEUTICS, LLC 2015-06-25 US disclosed
EP-2688563-A1 GALLIUM COMPLEXES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE Genta Incorporated (US) 2014-01-29 EP disclosed
WO-2012129473-A1 GALLIUM COMPLEXES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE GENTA INCORPORATED (US) 2012-09-27 WO disclosed
US-20120245135-A1 Gallium Complexes, Pharmaceutical Compositions And Methods Of Use GENTA INCORPORATED (US) 2012-09-27 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 (2 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-20120245135-A1 Gallium Complexes, Pharmaceutical Compositions And Methods Of Use COG5, CYP3A5, GPR35 ALDH1A1 4291/4885POLB 1852/4885HPGD 1589/4885
US-20150175631-A1 Gallium Complexes, Pharmaceutical Compositions and Methods of Use COG5, CYP3A5, GPR35 ALDH1A1 4291/4885POLB 1852/4885HPGD 1589/4885

“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.