SCHEMBL3692146

SCHEMBL3692146

COc1ccc(C2CC2OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.62
MAOA P21397 3/20 0.62
MAOB P27338 3/20 0.62
HTR2C P28335 1/20 0.53
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL11064728 0.82 KDM1A (0.72) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL11064726 0.82 KDM1A (0.72) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL7656625 0.80 KDM1A (0.53) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL8134045 0.80 KDM1A (0.53) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL16838801 0.79 KDM1A (0.52) KDM1AHTR2CSLC6A4SLC6A3SLC6A2
SCHEMBL16155721 0.78 KDM1A (0.67) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL12875739 0.78 KDM1A (0.67) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL31450919 0.78 KDM1A (0.67) KDM1AMAOAMAOBHTR2CTUBB4A
SCHEMBL16838804 0.78 MAOB (0.48) KDM1AMAOAMAOBHTR2CSLC6A3
SCHEMBL16838800 0.78 MAOB (0.48) KDM1AMAOAMAOBHTR2CSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845317-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-12-19 US disclosed
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2016-12-29 US disclosed
US-9328102-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-03 US disclosed
US-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions NATIONAL SCIENCE FOUNDATION 2015-09-03 US disclosed
US-9006463-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-14 US disclosed
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-11-28 US disclosed
US-8338601-B2 Slow release of organoboronic acids in cross-coupling reactions BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-25 US disclosed
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-13 US disclosed
WO-2010036921-A2 SLOW RELEASE OF ORGANOBORONIC ACIDS IN CROSS-COUPLING REACTIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-04-01 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-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 KDM1A 4191/4885MAOA 1476/4885MAOB 87/4885
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 KDM1A 4191/4885MAOA 1476/4885MAOB 87/4885
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 KDM1A 4191/4885MAOA 1476/4885MAOB 87/4885
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 KDM1A 4191/4885MAOA 1476/4885MAOB 87/4885

“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.