SCHEMBL4174754

SCHEMBL4174754

CC(N)C(OB(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37
THRB P10828 2/20 0.36
MEN1 O00255 1/20 0.36
TRPM2 O94759 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 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
SCHEMBL12270707 0.83 DPP4 (0.48) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL19410810 0.79 KDM4E (0.46) KDM4EADRA2ALMNAALDH1A1ORAI1
SCHEMBL3463761 0.78 ORAI1 (0.48) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL18257694 0.74 THRB (0.53) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL9870121 0.74 ADRA2A (0.50) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL16888402 0.74 THRB (0.53) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL12262583 0.74 THRB (0.53) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL3627338 0.74 THRB (0.53) KDM4EADRA2AADRA2CLMNAHIF1A
SCHEMBL7461066 0.73 ORAI1 (0.52) KDM4ELMNAALDH1A1ORAI1ORAI2
Hydrochloric Acid SCHEMBL22774703 0.72 ALDH1A1 (0.52) KDM4EADRA2AADRA2CLMNAHIF1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids THE PENNSYLVANIA STATE RESEARCH FOUNDATION 2009-03-26 US claimed
US-20050080048-A1 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids PENN STATE RESEARCH FOUNDATION, THE 2005-04-14 US claimed
US-7405304-B2 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids THE PENN STATE RESEARCH FOUNDATION (US) 2008-07-29 US disclosed
EP-1339725-B1 DNA METHYL TRANSFERASE INHIBITORS PENN STATE RES FOUND (US) 2006-11-22 EP disclosed
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 US disclosed
US-20050080048-A1 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids PENN STATE RESEARCH FOUNDATION, THE 2005-04-14 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 (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-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids BCL6B, BLVRB, SSB KDM4E 2810/4885ADRA2A 2317/4885ADRA2C 2195/4885
US-20050080048-A1 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids BCL6B, BLVRB, SSB KDM4E 2810/4885ADRA2A 2317/4885ADRA2C 2195/4885
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT KDM4E 698/4885ADRA2A 4685/4885ADRA2C 4754/4885

“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.