SCHEMBL3530372

SCHEMBL3530372

O=C1OC=CC1(O)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 4/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35
HSD11B1 P28845 1/20 0.35
NR3C2 P08235 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL1240598 0.66 TDP1 (0.41) ALDH1A1TSHRTDP1MAOAMAOB
SCHEMBL3530370 0.64 TOP2A (0.42) ALDH1A1MAOAMAOBMEN1KMT2A
SCHEMBL10029373 0.64 ELANE (0.36) ALDH1A1TSHRELANEF2PLG
SCHEMBL8993994 0.63 TOP2A (0.39) ALDH1A1TSHRHSD11B1MAOAMAOB
SCHEMBL13967211 0.63 CYP3A4 (0.41) ALDH1A1ELANEMAOAMAOBHTT
SCHEMBL1680265 0.63 TDP1 (0.43) TSHRTDP1MAOAMAOBLMNA
SCHEMBL6380088 0.63 MAOA (0.42) TSHRELANEHSD11B1MAOAMAOB
SCHEMBL10525604 0.63 MAOB (0.42) ALDH1A1ELANEF2PLGCTSG
SCHEMBL8783063 0.62 MMP2 (0.38) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL16174713 0.62 ELANE (0.44) ALDH1A1ELANECTSGHSD11B1KMT2A

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-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
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

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 ALDH1A1 875/4885TSHR 4034/4885ELANE 31/4885

“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.