SCHEMBL3736036

SCHEMBL3736036

COc1ccc(COC(=O)C(C)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.51
LDHA P00338 1/20 0.51
ATM Q13315 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP9 P14780 2/20 0.49
MMP1 P03956 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
MMP2 P08253 1/20 0.48
MMP12 P39900 1/20 0.48
FFAR1 O14842 1/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
P2RX4 Q99571 1/20 0.47

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
SCHEMBL23750675 1.00 ALDH1A1 (0.54) ALDH1A1HTTLDHAATMNPC1
SCHEMBL15607973 0.87 ALDH1A1 (0.55) ALDH1A1HTTLDHAATMNPC1
SCHEMBL4456075 0.87 ALDH1A1 (0.55) ALDH1A1HTTLDHAATMNPC1
SCHEMBL13516887 0.87 ALDH1A1 (0.55) ALDH1A1HTTLDHAATMNPC1
SCHEMBL8570835 0.87 ALDH1A1 (0.55) ALDH1A1HTTLDHAATMNPC1
SCHEMBL3734717 0.86 ALDH1A1 (0.51) ALDH1A1HTTLDHAATMNPC1
SCHEMBL3734720 0.86 ALDH1A1 (0.51) ALDH1A1HTTLDHAATMNPC1
SCHEMBL7699400 0.86 LDHA (0.46) ALDH1A1HTTLDHAATMNPC1
SCHEMBL28385330 0.84 ALDH1A1 (0.53) ALDH1A1HTTLDHAATMNPC1
SCHEMBL4701381 0.83 ATM (0.49) ALDH1A1HTTLDHAATMNPC1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658802-A Method for preparing lactate by catalyzing alcoholysis of polylactic acid by ionic liquid 中国科学院化学研究所 2024-03-08 CN claimed
CN-117658802-A Method for preparing lactate by catalyzing alcoholysis of polylactic acid by ionic liquid 中国科学院化学研究所 2024-03-08 CN disclosed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
CN-100460417-C Nucleosides analogues, such as antivirals including inhibitors of retroviral reverse transcriptase and the DNA polymerase MEDIVIR AB HUDDINGE (SE) 2009-02-11 CN disclosed
CN-1872869-A Nucleosides analogues, such as antivirals including inhibitors of retroviral reverse transcriptase and the DNA polymerase MEDIVIR AB HUDDINGE (SE) 2006-12-06 CN disclosed
CN-1286845-C Nucleoside analogs as antiviral agents for retroviral reverse transcriptase and DNA polymerase inhibitors MEDIVIR AB (SE) 2006-11-29 CN disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 EP disclosed
EP-1123935-A2 3'-Fluorinated guanosine derivatives for the treatment or prophylaxis of HBV or retroviral infections MEDIVIR AB (SE) 2001-08-16 EP disclosed
EP-0988304-B1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2001-05-02 EP disclosed
CN-1275983-A Nucleoside analogues, these compounds as antiviral agents comprising inhibitors of the reverse transcriptase and DNA polymerase of retroviruses of Hepatitis B Virus (HBV) MEDIVIR AB (SE) 2000-12-06 CN disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 WO disclosed
EP-0988304-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2000-03-29 EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed
WO-1999009031-A1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 1999-02-25 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 (3 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 ALDH1A1 1605/4885HTT 4361/4885LDHA 1234/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 ALDH1A1 1605/4885HTT 4361/4885LDHA 1234/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 ALDH1A1 1104/4885HTT 3428/4885LDHA 3579/4885

“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.