SCHEMBL2218554

SCHEMBL2218554

COc1ccc(O[C@@H]2CCN(C(=O)c3ccc(O)cc3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 3/20 0.53
HIF1A Q16665 1/20 0.53
KMT2A Q03164 2/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRM3 Q14832 1/20 0.52
HSD11B1 P28845 1/20 0.51
MGLL Q99685 1/20 0.51

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
SCHEMBL2218559 1.00 POLB (0.56) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL12516082 0.95 POLB (0.62) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL1580337 0.90 GAA (0.60) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL12442709 0.90 ALDH1A1 (0.65) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL12516079 0.89 POLB (0.55) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL27976851 0.89 POLB (0.55) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL2220004 0.88 ALDH1A1 (0.60) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL2220012 0.88 ALDH1A1 (0.60) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL2217698 0.87 ALDH1A1 (0.57) POLBGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL2217701 0.87 ALDH1A1 (0.57) POLBGAAALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 POLB 550/4885GAA 949/4885ALDH1A1 3932/4885

“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.