SCHEMBL5835956

SCHEMBL5835956

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.47
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
SLC6A3 Q01959 2/20 0.37

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
SCHEMBL5836723 0.93 KMT2A (0.55) KMT2ALMNAPTGS1PTGS2CYP2C19
SCHEMBL28026121 0.93 KMT2A (0.55) KMT2ALMNAPTGS1PTGS2CYP2C19
SCHEMBL5835964 0.89 KMT2A (0.50) KMT2ALMNAPTGS1PTGS2CYP2C19
SCHEMBL7490890 0.84 MMP8 (0.47) KMT2ALMNACYP2C19MEN1TSHR
SCHEMBL5836538 0.84 LMNA (0.51) LMNACYP2C19CYP2D6SRC
SCHEMBL16870979 0.82 KMT2A (0.53) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL6054594 0.80 CYP1A2 (0.51) KMT2ALMNAPTGS1PTGS2CYP2C19
SCHEMBL6054595 0.80 CYP1A2 (0.51) KMT2ALMNAPTGS1PTGS2CYP2C19
SCHEMBL6248685 0.80 CYP1A2 (0.51) KMT2ALMNAPTGS1PTGS2CYP2C19
SCHEMBL6248687 0.80 CYP1A2 (0.51) KMT2ALMNAPTGS1PTGS2CYP2C19

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 1585/4885LMNA 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.