SCHEMBL5836723

SCHEMBL5836723

C=CC(c1ccccc1)C(C(=O)OC)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.49
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.39
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL28026121 1.00 KMT2A (0.55) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL5835956 0.93 KMT2A (0.51) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL5835964 0.92 KMT2A (0.50) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL16870979 0.85 KMT2A (0.53) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL9687500 0.83 MMP8 (0.49) KMT2ALMNAMEN1TSHRSLC6A3
SCHEMBL7218494 0.82 HDAC4 (0.44) KMT2ALMNAPTGS1PTGS2ALDH1A1
SCHEMBL7218493 0.82 HDAC4 (0.44) KMT2ALMNAPTGS1PTGS2ALDH1A1
SCHEMBL9563164 0.80 LMNA (0.53) KMT2ALMNAALDH1A1CYP2C19CYP3A4
SCHEMBL9686992 0.80 KMT2A (0.47) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL5836538 0.80 LMNA (0.51) LMNACYP2C19

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801415-A Fluorine-containing chiral allylic compound and preparation method thereof 同济大学 2016-07-27 CN disclosed
CN-102731572-B Containing the Phosphine ligands of perfluoroalkyl, its preparation method, application and metal complex SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 CN disclosed
US-8058429-B2 Diazaphosphacycle transition metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-11-15 US disclosed
US-20100222583-A1 DIAZAPHOSPHACYCLE TRANSITION METAL COMPLEXES WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-09-02 US disclosed
US-7737272-B2 Diazaphosphacycle transition metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
US-7737272-B2 Diazaphosphacycle transition metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
US-7507820-B2 Diazaphosphacycles WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-03-24 US disclosed
US-7507820-B2 Diazaphosphacycles WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-03-24 US disclosed
US-20080146798-A1 DIAZAPHOSPHACYCLE TRANSITION METAL COMPLEXES WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-06-19 US disclosed
US-20080146798-A1 DIAZAPHOSPHACYCLE TRANSITION METAL COMPLEXES WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-06-19 US disclosed
US-6747152-B2 COMPRISES MOLYBDENUM/TUNGSTEN/CHROMIUM COMPLEXES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-06-08 US disclosed
US-20030191340-A1 Catalytic compositions and methods for asymmetric allylic alkylation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-09 US disclosed
EP-1049537-B1 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALLYLIC ALKYLATION UNIV LELAND STANFORD JUNIOR (US) 2003-08-06 EP disclosed
US-6541655-B2 For use in regioselective and enantioselective alkylations of allylic substrates THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-04-01 US disclosed
US-20020198383-A1 Catalytic compositions and methods for asymmetric allylic alkylation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-26 US disclosed
EP-1049537-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALLYLIC ALKYLATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-11-08 EP disclosed
US-6130349-A USING COMPLEX OF MOLYBDENUM, TUNGSTEN OR CHROMIUM WITH 1,1*-BINAPHTHYL SYSTEM CONTAINING HETEROCYCLIC NITROGEN GROUP; ENANTIO- AND REGIOSELECTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-10-10 US disclosed
WO-1999032225-A9 CATALYTIC COMPOSITION BASED ON CHIRAL LIGANDS WITH MOLYBDENUM, TUNGSTEN OR CHROMIUM AND METHOD FOR ASYMMETRIC ALKYLATION OF ALLYLIC SUBSTRATES UNIV LELAND STANFORD JUNIOR (US) 1999-09-30 WO disclosed
WO-1999032225-A2 CATALYTIC COMPOSITION BASED ON CHIRAL LIGANDS WITH MOLYBDENUM, TUNGSTEN OR CHROMIUM AND METHOD FOR ASYMMETRIC ALKYLATION OF ALLYLIC SUBSTRATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1999-07-01 WO disclosed
US-5147952-A PROCESS FOR PRODUCING MACROMOLECULAR MONOMER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-15 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-20080146798-A1 DIAZAPHOSPHACYCLE TRANSITION METAL COMPLEXES MCM3, MT-ND3, IDH3A KMT2A 3371/4885LMNA 2710/4885PTGS1 2301/4885
US-20100222583-A1 DIAZAPHOSPHACYCLE TRANSITION METAL COMPLEXES MCM3, MT-ND3, IDH3A KMT2A 3371/4885LMNA 2710/4885PTGS1 2301/4885
US-20020198383-A1 Catalytic compositions and methods for asymmetric allylic alkylation MPG, UNG, APOBEC3C KMT2A 1585/4885LMNA 3748/4885PTGS1 4633/4885
US-20030191340-A1 Catalytic compositions and methods for asymmetric allylic alkylation MPG, UNG, APOBEC3C KMT2A 1585/4885LMNA 3748/4885PTGS1 4633/4885

“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.