SCHEMBL3692141

SCHEMBL3692141

COc1ccc(C2CC2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CA2 P00918 3/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CYP1A1 P04798 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1B1 Q16678 2/20 0.52
CYP2E1 P05181 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP4B1 P13584 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP3A5 P20815 1/20 0.52

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
SCHEMBL31172738 1.00 MEN1 (0.58) MEN1KMT2ACA2CA12CA1
SCHEMBL23268487 1.00 MEN1 (0.58) MEN1KMT2ACA2CA12CA1
SCHEMBL25705815 0.94 MEN1 (0.54) MEN1KMT2ACA2CA12CA1
SCHEMBL25705924 0.92 MEN1 (0.59) MEN1KMT2ACA2CA12CA1
SCHEMBL23268480 0.92 MEN1 (0.55) MEN1KMT2ACA2CA12CA1
SCHEMBL25705273 0.88 MEN1 (0.54) MEN1KMT2ACA2CA12CA1
SCHEMBL23268494 0.88 MEN1 (0.54) MEN1KMT2ACA2CA12CA1
SCHEMBL2707057 0.88 HTR2C (0.63) MEN1KMT2ACA2ALDH1A1KDM4E
SCHEMBL4144131 0.88 MEN1 (0.51) MEN1KMT2ACA2CA12CA1
SCHEMBL14136432 0.86 MEN1 (0.50) MEN1KMT2ACA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11794180-B2 Tri-(adamantyl)phosphines and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-10-24 US disclosed
EP-3377221-B1 A METHOD OF CROSS-COUPLING USING A TRANSITION METAL COMPLEX COMPRISING A PAD3 LIGAND UNIV PRINCETON (US) 2023-07-26 EP disclosed
US-20230158480-A1 TRI-(ADAMANTYL)PHOSPHINES AND APPLICATIONS THEREOF UNIV PRINCETON (US) 2023-05-25 US disclosed
US-11583844-B2 Tri-(adamantyl)phosphines and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-02-21 US disclosed
US-20210162389-A1 TRI-(ADAMANTYL)PHOSPHINES AND APPLICATIONS THEREOF UNIV PRINCETON (US) 2021-06-03 US disclosed
US-10981157-B2 Tri-(adamantyl)phosphines and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-04-20 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
WO-2017075581-A1 TRI-(ADAMANTYL)PHOSPHINES AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-05-04 WO 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-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
US-4952720-A Ortho-substituted benzyl carboxylates and fungicides which contain these compounds BASF AKTIENGSELLSCHAFT (DE) 1990-08-28 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 (9 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-11794180-B2 Tri-(adamantyl)phosphines and applications thereof PADI3, ADA, ENTPD3 MEN1 2290/4885KMT2A 2858/4885CA2 656/4885
US-20150246905-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 MEN1 1153/4885KMT2A 3510/4885CA2 2491/4885
US-20210162389-A1 TRI-(ADAMANTYL)PHOSPHINES AND APPLICATIONS THEREOF PADI3, ADA, ENTPD3 MEN1 2290/4885KMT2A 2858/4885CA2 656/4885
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 MEN1 1153/4885KMT2A 3510/4885CA2 2491/4885
US-11583844-B2 Tri-(adamantyl)phosphines and applications thereof PADI3, ADA, ENTPD3 MEN1 2290/4885KMT2A 2858/4885CA2 656/4885
US-20160376260-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 MEN1 1153/4885KMT2A 3510/4885CA2 2491/4885
US-20230158480-A1 TRI-(ADAMANTYL)PHOSPHINES AND APPLICATIONS THEREOF PADI3, ADA, ENTPD3 MEN1 2290/4885KMT2A 2858/4885CA2 656/4885
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 MEN1 1153/4885KMT2A 3510/4885CA2 2491/4885
US-10981157-B2 Tri-(adamantyl)phosphines and applications thereof PADI3, ADA, ENTPD3 MEN1 2290/4885KMT2A 2858/4885CA2 656/4885

“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.