SCHEMBL12964145

SCHEMBL12964145

CCOC(=O)c1ccc(NC(=O)OCCOC(=O)NN)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.66
▸ ALDH1A1 P00352 4/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ GAA P10253 3/20 0.66
▸ MAPT P10636 3/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ TSHR P16473 2/20 0.62
▸ NAMPT P43490 1/20 0.59
▸ RAB9A P51151 7/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ CASP3 P42574 1/20 0.56
▸ TRPV1 Q8NER1 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54

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
SCHEMBL10941324 0.86 NAMPT (0.69) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL17202994 0.84 TSHR (0.63) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL14442106 0.81 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL5637308 0.80 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL28464045 0.79 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL12964144 0.79 MAPT (0.66) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL8633952 0.79 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL5636399 0.79 RAB9A (0.72) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
Methyl Alcohol SCHEMBL27776732 0.78 ALDH1A1 (0.97) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL9422337 0.78 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1MEN1KMT2AGAA

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
US-9173946-B2 Bifunctional hydroxy-bisphosphonic acid derivatives ATLANTHERA (FR) 2015-11-03 — — US disclosed
US-9173946-B2 Bifunctional hydroxy-bisphosphonic acid derivatives ATLANTHERA (FR) 2015-11-03 — — US disclosed
US-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2014-03-27 — — US disclosed
US-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2014-03-27 — — US disclosed
WO-2012130911-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2012-10-04 — — 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 (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-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES BPGM, PHPT1, PTH1R SMN1; SMN2 3824/4885ALDH1A1 1914/4885MEN1 745/4885

“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.

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