SCHEMBL152605

SCHEMBL152605

COCOc1cc(OC)ccc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
BACE1 P56817 1/20 0.42
APLNR P35414 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
ROR1 Q01973 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1918393 0.85 FYN (0.42) CA12CA1CA2CA7CA9
SCHEMBL27741003 0.81 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL16705733 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL5784633 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL27713610 0.80 AHR (0.45) CA12CA1CA2CA7CA9
SCHEMBL29445512 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL388185 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL13802277 0.79 ACHE (0.42) MAPTALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL13924822 0.79 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL12667544 0.79 CA12 (0.42) CA12CA1CA2CA7CA9

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
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
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

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 CA12 97/4885CA1 647/4885CA2 415/4885
US-20120059184-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 CA12 97/4885CA1 647/4885CA2 415/4885
US-20130296573-A1 System for Controlling the Reactivity of Boronic Acids ORC3, BRS3, OSBPL3 CA12 97/4885CA1 647/4885CA2 415/4885
US-20090030238-A1 SYSTEM FOR CONTROLLING THE REACTIVITY OF BORONIC ACIDS ORC3, BRS3, OSBPL3 CA12 97/4885CA1 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.