SCHEMBL5835829

SCHEMBL5835829

COC(=O)C(CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.50
GRIK2 Q13002 5/20 0.50
HTR2A P28223 3/20 0.49
PAM P19021 1/20 0.47
PIN1 Q13526 2/20 0.45
CTSC P53634 1/20 0.44
MAOB P27338 1/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5835825 1.00 GRIK1 (0.50) GRIK1GRIK2HTR2APAMPIN1
SCHEMBL12123422 0.95 HTR2A (0.50) GRIK1GRIK2HTR2APAMPIN1
SCHEMBL7254441 0.91 HTR2A (0.46) GRIK1GRIK2HTR2APAMPIN1
SCHEMBL6192213 0.91 HTR2A (0.46) GRIK1GRIK2HTR2APAMPIN1
SCHEMBL5837256 0.89 HDAC3 (0.44) GRIK1GRIK2PAMMAOBKMT2A
SCHEMBL5837573 0.88 LMNA (0.43) GRIK1GRIK2PAMMAOBKMT2A
SCHEMBL27689553 0.86 GRIK1 (0.62) GRIK1GRIK2HTR2APAMPIN1
SCHEMBL27989732 0.86 GRIK1 (0.62) GRIK1GRIK2HTR2APAMPIN1
SCHEMBL7490894 0.86 GRIK1 (0.49) GRIK1GRIK2HTR2APAMKMT2A
SCHEMBL27947171 0.84 HTR2A (0.53) GRIK1GRIK2HTR2APAMPIN1

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-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
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 GRIK1 501/4885GRIK2 538/4885HTR2A 4148/4885
US-20030191340-A1 Catalytic compositions and methods for asymmetric allylic alkylation MPG, UNG, APOBEC3C GRIK1 501/4885GRIK2 538/4885HTR2A 4148/4885

“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.