SCHEMBL3526528

SCHEMBL3526528

O=C1OCC/C1=C\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
KMT2A Q03164 1/20 0.71
DYRK1A Q13627 7/20 0.65
DYRK1B Q9Y463 7/20 0.65
MAPT P10636 2/20 0.65
DYRK2 Q92630 4/20 0.60
CYP1A2 P05177 2/20 0.59
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
F3 P13726 1/20 0.55
CLK1 P49759 2/20 0.54
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
ALOX5 P09917 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
MAOB P27338 2/20 0.49

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
SCHEMBL981190 1.00 ALDH1A1 (1.00) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL981479 0.89 ALDH1A1 (0.79) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL4950825 0.87 ALDH1A1 (0.77) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL13163231 0.85 ALDH1A1 (0.73) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL9490046 0.83 KMT2A (1.00) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL980397 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTCYP1A2F3
SCHEMBL17147752 0.79 ALDH1A1 (0.65) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL20358014 0.79 ALDH1A1 (0.65) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL27260229 0.79 DYRK1A (1.00) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL9566863 0.79 DYRK1A (1.00) ALDH1A1KMT2ADYRK1ADYRK1BMAPT

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 14 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
US-5416224-A Reaction of acetyldihydro-2-(3H)-furanone with aldehyde and alkali metal hydroxide HENKEL CORPORATION (US) 1995-05-16 US disclosed
US-5231192-A Reacting an a-acyl lactone, an aldehyde and an alkali metal hydroxide; hydrogenation HENKEL CORPORATION (US) 1993-07-27 US disclosed
WO-1992010487-A1 PROCESS FOR CONVERTING α-ACYL-SUBSTITUTED LACTONES TO α-ALKYLIDENE-SUBSTITUTED LACTONES HENKEL CORPORATION (US) 1992-06-25 WO disclosed
US-4980342-A Process for the preparation of α-alkyl lactones HENKEL CORPORATION (US) 1990-12-25 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-20080249102-A1 Hiv Protease Inhibitors SERPINB1, ANPEP, XPNPEP1 ALDH1A1 875/4885KMT2A 2101/4885DYRK1A 4683/4885

“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.