SCHEMBL791499

SCHEMBL791499

C[C@H]1CC[C@H](NCc2ccccc2OCC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
TBXAS1 P24557 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL10283531 0.85 TSHR (0.49) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL12510192 0.85 L3MBTL1 (0.50) L3MBTL1MEN1KMT2APOLBABL1
SCHEMBL4344461 0.81 HTT (0.46) L3MBTL1MEN1KMT2APOLBABL1
SCHEMBL14032540 0.78 MAPT (0.56) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL791741 0.77 VEGFA (0.50) GAAMEN1KMT2AALDH1A1VEGFA
SCHEMBL12015664 0.76 L3MBTL1 (0.64) L3MBTL1POLBALDH1A1SMN1; SMN2GLA
SCHEMBL17471287 0.73 MEN1 (0.44) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL14032641 0.73 HRH2 (0.52) L3MBTL1ALDH1A1SMN1; SMN2PTGDR2TBXAS1
SCHEMBL19325703 0.73 L3MBTL1 (0.59) GAAL3MBTL1POLBALDH1A1SMN1; SMN2
SCHEMBL695065 0.73 MEN1 (0.68) GAAL3MBTL1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GAA 374/4885L3MBTL1 4435/4885MEN1 4753/4885

“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.