SCHEMBL5634372

SCHEMBL5634372

C[Si](c1ccccc1)(c1ccccc1)c1cccc(C=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.47
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
IAPP P10997 1/20 0.33

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
SCHEMBL10909747 0.84 LMNA (0.46) ERN1TRIM24TRIM33LMNAKMT2A
SCHEMBL31312357 0.80 LMNA (0.46) ERN1TRIM24TRIM33LMNAKMT2A
SCHEMBL3966498 0.80 ERN1 (0.55) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL26116456 0.80 ERN1 (0.43) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL30679775 0.80 ERN1 (0.43) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL14337150 0.78 SIRT2 (0.47) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL4310583 0.76 ESR1 (0.46) LMNAKMT2AMEN1TDP1CA1
SCHEMBL14515524 0.75 ALDH1A1 (0.48) KMT2AMEN1THRBTDP1ALDH1A1
SCHEMBL2007240 0.75 ERN1 (0.50) ERN1TLR2TLR1TLR6TRIM24
SCHEMBL15525107 0.73 LMNA (0.46) ERN1TRIM24TRIM33LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050209471-A1 Stereoselective addition of a nucleophile to a reactive pi -bond of a substrate using a chiral, non-racemic catalysts, producing a stereoisomerically enriched product NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-22 US disclosed
US-20050187392-A1 Hydrolytic kinetic resolution of cyclic substrates HARVARD UNIVERSITY (US) 2005-08-25 US disclosed
US-6844448-B2 Main-group metal-based asymmetric catalysts and applications thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-01-18 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-20030187249-A1 Main-group metal-based asymmetric catalysts and applications thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 US disclosed
US-20030139614-A1 Hydrolytic kinetic resolution of cyclic substrates PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2003-07-24 US disclosed
EP-1073613-A2 MAIN-GROUP METAL-BASED ASYMMETRIC CATALYSTS AND APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-02-07 EP disclosed
US-6130340-A CATALYST SELECTIVITY; DRUG CHEMICAL INTERMEDIATES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-10-10 US disclosed
WO-2000050365-A1 ASYMMETRIC CYCLOADDITION REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-08-31 WO disclosed
WO-2000009463-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-24 WO disclosed
WO-1999056699-A2 MAIN-GROUP METAL-BASED ASYMMETRIC CATALYSTS AND APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-11-11 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
WO-1999036375-A1 ASYMMETRIC CYCLOADDITION REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-07-22 WO disclosed
EP-0817765-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-01-14 EP disclosed
US-5665890-A CHEMICAL SYNTHESIS COMPRISING REACTING A NUCLEOPHILE AND A CHIRAL OR PROCHIRAL CYCLIC SUBSTRATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-09 US disclosed
WO-1996028402-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1996-09-19 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 (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 ERN1 1547/4885TLR2 4849/4885TLR1 4828/4885
US-20050209471-A1 Stereoselective addition of a nucleophile to a reactive pi -bond of a substrate using a chiral, non-racemic catalysts, producing a stereoisomerically enriched product DNTT, PCNA, SAMHD1 ERN1 1320/4885TLR2 4507/4885TLR1 4185/4885
US-20050187392-A1 Hydrolytic kinetic resolution of cyclic substrates EPHX2, EPHX1, APEH ERN1 1547/4885TLR2 4849/4885TLR1 4828/4885
US-20040044233-A1 Nucleophilic kinetic resolution of cyclic substrates using silyl azides SAMHD1, PCNA, ESD ERN1 666/4885TLR2 4831/4885TLR1 4760/4885
US-20030187249-A1 Main-group metal-based asymmetric catalysts and applications thereof DCX, DNTT, CA3 ERN1 2147/4885TLR2 3724/4885TLR1 3385/4885

“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.