SCHEMBL155366

SCHEMBL155366

OB(O)c1occ2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34
CYP2A6 P11509 2/20 0.33
PTPN1 P18031 1/20 0.33
PLAU P00749 1/20 0.32
PIM1 P11309 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL21333447 0.74 CYP2A6 (0.39) ERN1CYP2A6PTPN1PLAUPIM1
SCHEMBL2092077 0.71 CYP2A6 (0.37) ERN1CYP2A6ALDH1A1KDM4EMEN1
SCHEMBL7633234 0.69 PIM1 (0.45) ERN1TSHRCYP2A6PIM1ALDH1A1
SCHEMBL11684409 0.68 MAOA (0.43) ERN1CYP2A6PIM1ALDH1A1MEN1
SCHEMBL23271180 0.67 ALDH1A1 (0.41) CA1CA2TSHRPTPN1PIM1
Magnesium Chloride Anhydrous SCHEMBL20694938 0.67 CA4 (0.32) CA1CA2TSHRCYP2A6ALDH1A1
SCHEMBL27488106 0.67 APAF1 (0.36) CYP2A6MEN1MAPTKMT2ALMNA
SCHEMBL10966532 0.65 TAAR1 (0.33) ERN1TSHRPLAUPIM1ALDH1A1
SCHEMBL16553301 0.64 CYP2A6 (0.43) ERN1CA1CA2TSHRCYP2A6
SCHEMBL10902490 0.63 KMT2A (0.43) PLAUALDH1A1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732102-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-08-15 US disclosed
US-20170002026-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-01-05 US disclosed
US-9328127-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-03 US disclosed
EP-2181103-B1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS UNIV ILLINOIS (US) 2015-08-05 EP disclosed
US-20130296573-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-11-07 US disclosed
US-8318983-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-11-27 US disclosed
US-20120059184-A1 System for Controlling the Reactivity of Boronic Acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-03-08 US disclosed
US-8013203-B2 System for controlling the reactivity of boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-06 US disclosed
EP-2181103-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS The Board Of Trustees Of The University Of Illinois (US) 2010-05-05 EP disclosed
WO-2009014550-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2009-01-29 WO disclosed
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-29 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 (4 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-20170002026-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 ERN1 1716/4885CA1 647/4885CA2 415/4885
US-20120059184-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 ERN1 1716/4885CA1 647/4885CA2 415/4885
US-20130296573-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 ERN1 1716/4885CA1 647/4885CA2 415/4885
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS ORC3, BRS3, OSBPL3 ERN1 1716/4885CA1 647/4885CA2 415/4885

“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.