SCHEMBL3449840

SCHEMBL3449840

C[Si](C)(C)OC1C=CC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.37
NFKB2 Q00653 4/20 0.37
RELA Q04206 4/20 0.37
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL5634238 1.00 NFKB1 (0.37) NFKB1NFKB2RELANLRP3
SCHEMBL968867 0.81 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL968866 0.81 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL852586 0.81 NFKB1 (0.38) NFKB1NFKB2RELA
SCHEMBL14209522 0.76
SCHEMBL13940276 0.76
SCHEMBL13497462 0.75
SCHEMBL8577970 0.71 NFKB1 (0.46) NFKB1NFKB2RELA
SCHEMBL2816076 0.69 NFKB1 (0.49) NFKB1NFKB2RELANLRP3
SCHEMBL2816078 0.69 NFKB1 (0.49) NFKB1NFKB2RELANLRP3

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-20100041918-A1 CYCLOPENTENE DIOL MONOACETATE DERIVATIVES NOVARTIS AG 2010-02-18 US disclosed
US-20100041918-A1 CYCLOPENTENE DIOL MONOACETATE DERIVATIVES NOVARTIS AG 2010-02-18 US disclosed
EP-2084121-A1 CYCLOPENTENE DIOL MONOACETATE DERIVATIVES Novartis AG (CH) 2009-08-05 EP disclosed
WO-2008055874-A1 CYCLOPENTENE DIOL MONOACETATE DERIVATIVES NOVARTIS AG (CH) 2008-05-15 WO disclosed
US-7220870-B2 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-22 US disclosed
EP-0817765-B1 STEREOSELECTIVE RING OPENING REACTIONS HARVARD COLLEGE (US) 2006-02-01 EP disclosed
US-20050187392-A1 Hydrolytic kinetic resolution of cyclic substrates HARVARD UNIVERSITY (US) 2005-08-25 US disclosed
US-6841667-B2 Nucleophilic kinetic resolution of cyclic substrates using silyl azides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-01-11 US disclosed
US-6800766-B2 CATALYZING THE DECYCLIZATION OF RACEMIC AND DIASTEREOMERIC EPOXIDES MIXTURES IN THE PRESENCE OF A NON-RACEMIC, CHIRAL CATALYST; PHARMACEUTICAL SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-10-05 US disclosed
US-20040044233-A1 Nucleophilic kinetic resolution of cyclic substrates using silyl azides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-04 US disclosed
US-20030139614-A1 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2003-07-24 US disclosed
US-6448414-B1 ENANTIOMERICALLY PURE COMPOUNDS BY REACTING WATER AND CARBOCYCLE OR HETEROCYCLE HAVING AN ELECTROPHILIC CENTER IN THE PRESENCE OF AN ASYMMETRIC TETRADENTATE LIGAND COMPLEXED WITH A METAL ATOM, WHICH HAS A GEOMETRIC SHAPE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US disclosed
US-20020032338-A1 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-03-14 US disclosed
US-6262278-B1 REACTING WATER AND MIXTURE OF STEREOISOMERS OF CHIRAL CYCLIC SUBSTRATE IN THE PRESENCE OF NON-RACEMIC CHIRAL CATALYST TO PRODUCE BY KINETIC RESOLUTION STEREOISOMERICALLY ENRICHED CYCLIC SUBSTRATE OR STEREOISOMERICALLY ENRICHED HYDROLYZATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2001-07-17 US disclosed
EP-1104395-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-06-06 EP disclosed
WO-2000009463-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-24 WO disclosed
US-5929232-A REACTING NUCLEOPHILE AND RACEMIC MIXTURE OF CHIRAL CYCLIC SUBSTRATE IN PRESENCE OF NON-RACEMIC CHIRAL CATALYST TO PRODUCE STEREOISOMERICALLY ENRICHED CYCLIC SUBSTRATE BY KINETIC RESOLUTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-07-27 US disclosed
EP-0817765-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-01-14 EP disclosed
WO-1996028402-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1996-09-19 WO disclosed
US-4228298-A 15-Deoxy-16-hydroxy-16-fluoromethyl, difluoromethyl or trifluoromethyl prostaglandins of the E and F series AMERICAN CYANAMID COMPANY (US) 1980-10-14 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 (5 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-20030139614-A1 Hydrolytic kinetic resolution of cyclic substrates EPHX2, EPHX1, APEH NFKB1 1212/4885NFKB2 2508/4885RELA 3651/4885
US-20050187392-A1 Hydrolytic kinetic resolution of cyclic substrates EPHX2, EPHX1, APEH NFKB1 1212/4885NFKB2 2508/4885RELA 3651/4885
US-20040044233-A1 Nucleophilic kinetic resolution of cyclic substrates using silyl azides SAMHD1, PCNA, ESD NFKB1 1518/4885NFKB2 3175/4885RELA 3731/4885
US-20020032338-A1 Hydrolytic kinetic resolution of cyclic substrates EPHX2, EPHX1, APEH NFKB1 1212/4885NFKB2 2508/4885RELA 3651/4885
US-20100041918-A1 CYCLOPENTENE DIOL MONOACETATE DERIVATIVES ADH1A, CYP1B1, CYP1A2 NFKB1 1152/4885NFKB2 1478/4885RELA 1173/4885

“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.