SCHEMBL5488886

SCHEMBL5488886

CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
SOAT1 P35610 1/20 0.39
CYP3A4 P08684 2/20 0.38
SMYD2 Q9NRG4 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
TLR8 Q9NR97 1/20 0.35
PTPN1 P18031 1/20 0.35
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
ESR1 P03372 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 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
SCHEMBL16888352 0.98 SOAT1 (0.41) LTA4HSOAT1CYP3A4SMYD2HTT
SCHEMBL18724647 0.98 SOAT1 (0.41) LTA4HSOAT1CYP3A4SMYD2HTT
SCHEMBL13284463 0.98 SOAT1 (0.41) LTA4HSOAT1CYP3A4SMYD2HTT
SCHEMBL15426891 0.98 SOAT1 (0.41) LTA4HSOAT1CYP3A4SMYD2HTT
SCHEMBL6276817 0.97 SOAT1 (0.40) LTA4HSOAT1CYP3A4SMYD2HTT
SCHEMBL702653 0.95 LTA4H (0.42) LTA4HCYP3A4SMYD2HTTSMN1; SMN2
SCHEMBL15686013 0.91 LTA4H (0.36) LTA4HSOAT1CYP3A4SMYD2HTT
SCHEMBL15686035 0.90 SOAT1 (0.36) LTA4HSOAT1CYP3A4TSHRALDH1A1
SCHEMBL4341940 0.90 PPARG (0.41) SOAT1FAAHCNR1
SCHEMBL15686034 0.90 SOAT1 (0.36) LTA4HSOAT1CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3211085-A1 ADENO-ASSOCIATED VIRUS (AAV) CLADES, SEQUENCES, VECTORS CONTAINING SAME, AND USES THEREFOR The Trustees of The University of Pennsylvania (US) 2017-08-30 EP disclosed
EP-2292780-B1 Adeno-associated virus (AAV) clades, sequences, vectors containing same, and uses thereof UNIV PENNSYLVANIA (US) 2017-08-23 EP disclosed
WO-2017123634-A1 FORMULATIONS AND METHODS FOR TREATING ULCERATIVE COLITIS SYNERGY PHARMACEUTICALS, INC. (US) 2017-07-20 WO disclosed
US-20150284470-A1 CRYSTAL STRUCTURES OF HETERODIMERIC Fc DOMAINS ZYMEWORKS INC. (CA) 2015-10-08 US disclosed
WO-2014088897-A1 PALLADIUM-CATALYZED DECARBONYLATION OF FATTY ACID ANHYDRIDES FOR THE PRODUCTION OF LINEAR ALPHA OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-06-12 WO disclosed
CN-103764621-A Epoxyeicosatrienoic acid analogs and methods of making and using the same MCW RES FOUND INC 2014-04-30 CN disclosed
EP-2694470-A1 EPOXYEICOSATRIENOIC ACID ANALOGS AND METHODS OF MAKING AND USING THE SAME M.C.W. Research Foundation, Inc. (US) 2014-02-12 EP disclosed
WO-2012138706-A1 EPOXYEICOSATRIENOIC ACID ANALOGS AND METHODS OF MAKING AND USING THE SAME MCW RESEARCH FOUNDATION, INC. (US) 2012-10-11 WO disclosed
EP-2392580-A1 2'-fluoronucleosides Emory University (US) 2011-12-07 EP disclosed
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 US disclosed
EP-1754710-A2 2'-Fluoroncucleosides Emory University (US) 2007-02-21 EP disclosed
EP-1058686-B1 2'-FLUORONUCLEOSIDES UNIV EMORY (US) 2006-11-02 EP disclosed
EP-1058686-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 2000-12-13 EP disclosed
WO-1999043691-A1 2'-FLUORONUCLEOSIDES EMORY UNIVERSITY (US) 1999-09-02 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 (1 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-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP LTA4H 2530/4885SOAT1 3018/4885CYP3A4 3960/4885

“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.