SCHEMBL3530370

SCHEMBL3530370

O=C1OCCC1(O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
AVPR1A P37288 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AKR1B1 P15121 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FKBP1A P62942 1/20 0.34

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
SCHEMBL576279 0.79 L3MBTL1 (0.45) MAOAMAOBNPSR1LMNAHTT
Hydrochloric Acid SCHEMBL28211399 0.77 L3MBTL1 (0.44) MAOAMAOBOPRL1NPSR1LMNA
SCHEMBL7353378 0.76 ELANE (0.40) MAOAMAOBNPSR1L3MBTL1MEN1
SCHEMBL2477668 0.76 MAOA (0.48) MAOAMAOBNPSR1LMNAHTT
SCHEMBL10442397 0.76 MAOA (0.48) MAOAMAOBNPSR1LMNAHTT
SCHEMBL3477103 0.73 ADRB2 (0.36) MAOAMAOBHTTL3MBTL1MEN1
SCHEMBL576739 0.72 L3MBTL1 (0.42) MAOAMAOBNPSR1LMNAHTT
SCHEMBL9144805 0.71
SCHEMBL577037 0.71 LMNA (0.41) MAOAMAOBNPSR1LMNAHTT
SCHEMBL8993994 0.71 TOP2A (0.39) TOP2AMAOAMAOBOPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
EP-1851193-B1 HIV PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-22 EP disclosed
US-20080249102-A1 Hiv Protease Inhibitors MEDIVIR AB (SE) 2008-10-09 US disclosed
US-20080249102-A1 Hiv Protease Inhibitors MEDIVIR AB (SE) 2008-10-09 US disclosed
US-20080249102-A1 Hiv Protease Inhibitors MEDIVIR AB (SE) 2008-10-09 US disclosed
EP-1851193-A1 HIV PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-11-07 EP disclosed
WO-2006084688-A1 HIV protease inhibitors MEDIVIR AB (SE) 2006-08-17 WO disclosed
WO-2006084688-A1 HIV protease inhibitors MEDIVIR AB (SE) 2006-08-17 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-20080249102-A1 Hiv Protease Inhibitors SERPINB1, ANPEP, XPNPEP1 TOP2A 2005/4885MAOA 475/4885MAOB 890/4885

“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.