SCHEMBL3688071

SCHEMBL3688071

COc1ccc(-c2cc3ccccc3o2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.64
KMT2A Q03164 5/20 0.60
AR P10275 1/20 0.52
TP53 P04637 2/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
USP2 O75604 2/20 0.50
HPGD P15428 2/20 0.50
MAPK10 P53779 1/20 0.50
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL3985729 0.84 AHR (0.59) PTPN1KMT2AARTP53KDM4E
SCHEMBL30139326 0.84 PTPN1 (0.71) PTPN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL7947768 0.82 PTPN1 (0.68) PTPN1KMT2AARKDM4EALDH1A1
SCHEMBL11673209 0.81 KMT2A (0.49) PTPN1KMT2ATP53KDM4EALDH1A1
SCHEMBL15157397 0.81 PTPN1 (0.76) PTPN1ARKDM4EALDH1A1HSD17B10
SCHEMBL4649397 0.80 AR (0.72) KMT2AARTP53KDM4EALDH1A1
SCHEMBL11818081 0.80 CYP1A1 (0.52) PTPN1KMT2ATP53KDM4EALDH1A1
SCHEMBL21735192 0.78 PTPN1 (0.71) PTPN1ARTP53KDM4EALDH1A1
SCHEMBL3685028 0.78 MAOB (0.63) KMT2ATP53KDM4EALDH1A1HSD17B10
SCHEMBL6579774 0.77 APP (0.60) KMT2ATP53KDM4EALDH1A1HSD17B10

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 18 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-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-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-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-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-8496975-B2 Compositions for the treatment and prevention of infections of the oral cavity INDENA S.P.A. (IT) 2013-07-30 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
CN-102014892-A Compositions for treating and preventing oral infections INDENA SPA 2011-04-13 CN 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
EP-2133076-A1 Compositions for the treatment and prevention of infections of the oral cavity Indena S.P.A. (IT) 2009-12-16 EP disclosed
EP-2133079-A1 Compositions for the treatment of vaginal infections with chronic inflammation Indena S.P.A. (IT) 2009-12-16 EP disclosed
WO-2009129927-A1 COMPOSITIONS FOR THE TREATMENT OF VAGINAL INFECTIONS WITH CHRONIC INFLAMMATION INDENA S.P.A. (IT) 2009-10-29 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-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 PTPN1 1023/4885KMT2A 3510/4885AR 2135/4885
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 PTPN1 1023/4885KMT2A 3510/4885AR 2135/4885
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 PTPN1 1023/4885KMT2A 3510/4885AR 2135/4885
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 PTPN1 1023/4885KMT2A 3510/4885AR 2135/4885

“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.