SCHEMBL5115066

SCHEMBL5115066

O=C(c1cccc(OBOc2cccc(C(=O)N3CCOCC3)c2)c1)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.72
ALDH1A1 P00352 1/20 0.63
TSHR P16473 3/20 0.62
RAB9A P51151 3/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
RECQL P46063 1/20 0.54
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 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
SCHEMBL18704491 0.90 L3MBTL1 (0.71) L3MBTL1ALDH1A1TSHRRAB9AKMT2A
SCHEMBL177486 0.87 MEN1 (0.67) L3MBTL1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL10720509 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1TSHRRAB9AKMT2A
SCHEMBL3030400 0.83 HPGD (0.57) L3MBTL1ALDH1A1TSHRKMT2AMEN1
SCHEMBL519242 0.82 PHGDH (0.61) L3MBTL1ALDH1A1TSHRRAB9AKMT2A
SCHEMBL27682978 0.82 L3MBTL1 (0.71) L3MBTL1ALDH1A1TSHRRAB9AKMT2A
SCHEMBL27767171 0.82 L3MBTL1 (0.71) L3MBTL1ALDH1A1TSHRRAB9AKMT2A
SCHEMBL7876574 0.79 ALDH1A1 (0.68) L3MBTL1ALDH1A1TSHRRAB9AKMT2A
SCHEMBL28294867 0.79 HPGD (0.71) L3MBTL1ALDH1A1TSHRRAB9AKMT2A
SCHEMBL1199986 0.77 L3MBTL1 (0.64) L3MBTL1ALDH1A1TSHRRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004263-A1 Ligands of Follicle Stimulating Hormone Receptor and Methods of Use Thereof ARENA PHARMACEUTICALS, INC. 2008-01-03 US disclosed
WO-2006048331-A1 11β-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 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-20080004263-A1 Ligands of Follicle Stimulating Hormone Receptor and Methods of Use Thereof FSHR, GNRHR, LHCGR L3MBTL1 4498/4885ALDH1A1 1620/4885TSHR 19/4885

“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.