SCHEMBL3417632

SCHEMBL3417632

CCO[Si](OCC)(OCC)c1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc([Si](OCC)(OCC)OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.39
ESR1 P03372 2/20 0.35
AHR P35869 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MCHR1 Q99705 2/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
TUBB1 Q9H4B7 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 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
SCHEMBL3417630 1.00 RELA (0.39) RELAESR1AHRNPC1RAB9A
SCHEMBL3350830 0.94 RELA (0.42) RELAESR1AHRNPC1RAB9A
SCHEMBL3350829 0.94 RELA (0.42) RELAESR1AHRNPC1RAB9A
SCHEMBL13933201 0.88 ESR1 (0.34) ESR1KMT2ACYP3A4KDM4ECYP2D6
SCHEMBL14429555 0.88 ESR1 (0.34) ESR1KMT2ACYP3A4KDM4ECYP2D6
SCHEMBL545299 0.88 ESR1 (0.34) ESR1KMT2ACYP3A4KDM4ECYP2D6
SCHEMBL5486605 0.87 RELA (0.55) RELARAB9AKMT2ACYP3A4CYP1A2
SCHEMBL5486599 0.87 RELA (0.55) RELARAB9AKMT2ACYP3A4CYP1A2
SCHEMBL30018341 0.85 ALDH1A1 (0.39) KMT2AMAPT
SCHEMBL27801218 0.85 ALDH1A1 (0.44) RELAESR1AHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549996-B2 Matrix incorporated fluorescent porous and non-porous silica particles for medical imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-01-24 US claimed
US-9119875-B2 Matrix incorporated fluorescent porous and non-porous silica particles for medical imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US claimed
US-20150231280-A1 MATRIX-INCORPORATED FLUORESCENT POROUS AND NON-POROUS SILICA PARTICLES FOR MEDICAL IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-08-20 US claimed
US-20140271894-A1 MATRIX-INCORPORATED FLUORESCENT POROUS SILICA PARTICLES FOR DRUG DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-18 US claimed
US-20140271481-A1 MATRIX-INCORPORATED FLUORESCENT POROUS AND NON-POROUS SILICA PARTICLES FOR MEDICAL IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-18 US claimed
US-9549996-B2 Matrix incorporated fluorescent porous and non-porous silica particles for medical imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-01-24 US disclosed
US-9119875-B2 Matrix incorporated fluorescent porous and non-porous silica particles for medical imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-09-01 US disclosed
US-20150231280-A1 MATRIX-INCORPORATED FLUORESCENT POROUS AND NON-POROUS SILICA PARTICLES FOR MEDICAL IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-08-20 US disclosed
US-20140271894-A1 MATRIX-INCORPORATED FLUORESCENT POROUS SILICA PARTICLES FOR DRUG DELIVERY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-18 US disclosed
US-20140271481-A1 MATRIX-INCORPORATED FLUORESCENT POROUS AND NON-POROUS SILICA PARTICLES FOR MEDICAL IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-18 US disclosed
US-8735852-B2 Matrix-incorporated fluorescent silica for anti-counterfeiting INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-05-27 US disclosed
US-20130341528-A1 Matrix-Incorporated Fluorescent Silica with On/Off Functionality for Anti-Counterfeiting INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-12-26 US disclosed
US-20130270457-A1 Matrix-Incorporated Fluorescent Silica for Anti-Counterfeiting INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-10-17 US disclosed
US-7777176-B2 Composition and method to characterize membranes' defects ENERGY MATERIALS CORPORATION (US) 2010-08-17 US disclosed
US-20100038526-A1 Composition and method to characterize membranes' defects ENERGY MATERIALS CORPORATION 2010-02-18 US disclosed
WO-2010019125-A1 COMPOSITION AND METHOD TO CHARACTERIZE MEMBRANES' DEFECTS ENERGY MATERIALS CORPORATION (US) 2010-02-18 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-20130270457-A1 Matrix-Incorporated Fluorescent Silica for Anti-Counterfeiting MACF1, SRM, MMP1 RELA 2658/4885ESR1 4067/4885AHR 4233/4885
US-20130341528-A1 Matrix-Incorporated Fluorescent Silica with On/Off Functionality for Anti-Counterfeiting MACF1, MYOF, MIF RELA 3560/4885ESR1 3202/4885AHR 3346/4885

“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.