SCHEMBL5899550

SCHEMBL5899550

COc1cc(C=O)cc(B2OC(C)(C)C(C)(C)O2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
GSK3B P49841 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
HPGD P15428 2/20 0.38
TRIM24 O15164 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MAPK1 P28482 2/20 0.38
TOP1 P11387 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL24062034 0.83 ALDH1A1 (0.44) ALDH1A1TSHRGSK3BTDP1HPGD
SCHEMBL30101140 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL25300213 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL16320889 0.80 ALDH1A1 (0.54) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL16619850 0.76 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL96635 0.76 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HPGDTRIM24
Hydrochloric Acid SCHEMBL23711567 0.74 ALDH1A1 (0.57) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL23121707 0.74 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HPGDKDM4E
SCHEMBL13872636 0.73 EGFR (0.42) ALDH1A1TSHRTDP1MAPK1MAPT
SCHEMBL9829209 0.72 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HPGDTRIM24

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
EP-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 EP claimed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US claimed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US claimed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP claimed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 EP claimed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 WO claimed
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 US disclosed
EP-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 EP disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 EP disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 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-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 ALDH1A1 994/4885TSHR 3604/4885GSK3B 3011/4885

“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.