SCHEMBL5899515

SCHEMBL5899515

CCOC(=O)c1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.53
UCHL1 P09936 1/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL3191197 0.90 HSD17B2 (0.57) HSD17B2UCHL1NPC1RAB9ASMN1; SMN2
SCHEMBL5899519 0.87 MAPT (0.50) UCHL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL29776631 0.85 UCHL1 (0.48) HSD17B2UCHL1NPC1RAB9ASMN1; SMN2
SCHEMBL31419146 0.84 LMNA (0.49) HSD17B2UCHL1NPC1LMNACA12
SCHEMBL13697621 0.83 UCHL1 (0.44) HSD17B2UCHL1NPC1RAB9ASMN1; SMN2
SCHEMBL4176608 0.83 UCHL1 (0.44) HSD17B2UCHL1NPC1RAB9ASMN1; SMN2
SCHEMBL4176606 0.83 UCHL1 (0.44) HSD17B2UCHL1NPC1RAB9ASMN1; SMN2
SCHEMBL25192959 0.83 UCHL1 (0.49) HSD17B2UCHL1NPC1RAB9ASMN1; SMN2
SCHEMBL3198437 0.83 UCHL1 (0.47) HSD17B2UCHL1RAB9ASMN1; SMN2MAPT
SCHEMBL4501623 0.82 CA12 (0.54) RAB9AGAALMNACA12CA1

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 20 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
US-6559310-B2 Reacting a halogen aromatic derivative at a coupling position with a diboron derivative in the presence of a Group VIII metal catalyst and a suitable base for covalently coupling organic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-05-06 US claimed
US-20020193604-A1 Aryl borates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-12-19 US claimed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP claimed
EP-0986541-A4 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMW SCIENT IND RES ORG (AU) 2002-08-14 EP claimed
US-20020032339-A1 ARYL BORATES BORON MOLECULAR LIMITED (AU) 2002-03-14 US 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
EP-0986541-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-03-22 EP claimed
WO-1998045265-A1 PROCESS FOR COVALENTLY COUPLING ORGANIC COMPOUNDS UTILIZING DIBORON DERIVATIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-10-15 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 (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-20020193604-A1 Aryl borates BRD4, ABL1, BRD3 HSD17B2 1885/4885UCHL1 3858/4885NPC1 1723/4885
US-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 HSD17B2 440/4885UCHL1 3499/4885NPC1 2667/4885
US-20020032339-A1 ARYL BORATES TBCB, HAT1, UBE2B HSD17B2 1683/4885UCHL1 2568/4885NPC1 2567/4885

“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.