SCHEMBL5836381

SCHEMBL5836381

C=CC(OC(C)=O)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 4/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.38
AGTR1 P30556 1/20 0.38
RECQL P46063 1/20 0.37
ADORA2B P29275 3/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL27733971 0.87 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL1969808 0.85 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL15142435 0.77 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL27918598 0.77 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL6129965 0.74 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL61038 0.74 CYP3A4 (0.50) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL3259552 0.72 KDM4E (0.33) MAPTKDM4EPOLBHSD17B10
SCHEMBL9472147 0.70 CYP3A4 (0.46) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL27884913 0.70 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL7187367 0.70 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005521-B1 Catalytic compositions and methods for asymmetric allylic alkylation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-02-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020198383-A1 Catalytic compositions and methods for asymmetric allylic alkylation MPG, UNG, APOBEC3C KMT2A 1585/4885MEN1 2937/4885ALDH1A1 1826/4885
US-20030191340-A1 Catalytic compositions and methods for asymmetric allylic alkylation MPG, UNG, APOBEC3C KMT2A 1585/4885MEN1 2937/4885ALDH1A1 1826/4885

“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.