SCHEMBL2932475

SCHEMBL2932475

Cl[Si](c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.48
CYP1A2 P05177 5/20 0.48
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
PAX8 Q06710 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
F12 P00748 1/20 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
SCHEMBL30190041 1.00 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5048148 0.85 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL1131122 0.85 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL17966499 0.81 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL8216176 0.81 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL10319492 0.81 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL1883640 0.79 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL31643929 0.78 CYP1A2 (0.41) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL8207775 0.78 CYP1A2 (0.41) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL625238 0.77 ALDH1A1 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018039-B2 Boron compound, and organic light-emitting diode comprising same SFC CO., LTD. (KR) 2024-06-25 US disclosed
US-12018039-B2 Boron compound, and organic light-emitting diode comprising same SFC CO., LTD. (KR) 2024-06-25 US disclosed
CN-113015737-B Boron compound and organic light-emitting element comprising same SFC株式会社 2024-05-31 CN disclosed
CN-114685550-B Silicon-containing organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2023-12-01 CN disclosed
EP-4076729-A1 MULTI-FUNCTIONAL HYBRID MATERIAL BASED ON NATURAL CLAYS FOR ENVIRONMENTAL RECOVERY AND BIO-REMEDIATION Consiglio Nazionale Delle Ricerche (IT) 2022-10-26 EP disclosed
EP-4076730-A1 MULTI-FUNCTIONAL HYBRID MATERIAL BASED ON SEPIOLITE FOR ENVIRONMENTAL RECOVERY AND BIO-REMEDIATION Consiglio Nazionale Delle Ricerche (IT) 2022-10-26 EP disclosed
CN-114685550-A Silicon-containing organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2022-07-01 CN disclosed
US-20210403490-A1 NOVEL BORON COMPOUND, AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME SFC CO., LTD. (KR) 2021-12-30 US disclosed
WO-2021124097-A1 MULTI-FUNCTIONAL HYBRID MATERIAL BASED ON SEPIOLITE FOR ENVIRONMENTAL RECOVERY AND BIO-REMEDIATION CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2021-06-24 WO disclosed
WO-2021124103-A1 MULTI-FUNCTIONAL HYBRID MATERIAL BASED ON NATURAL CLAYS FOR ENVIRONMENTAL RECOVERY AND BIO-REMEDIATION CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2021-06-24 WO disclosed
US-7732497-B2 Colloidal particles for lotus effect THE CLOROX COMPANY (US) 2010-06-08 US disclosed
US-7648845-B2 Detection using variations in energy levels; hydrophilic, hydrophobic or electrostatics; detector bonded to porous materials and a halophors EMORY UNIVERSITY (US) 2010-01-19 US disclosed
US-20090169861-A1 POROUS MATERIALS EMBEDDED WITH NANOSPECIES, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF EMORY UNIVERSITY 2009-07-02 US disclosed
WO-2008121640-A1 COLLOIDAL PARTICLES FOR LOTUS EFFECT THE CLOROX COMPANY (US) 2008-10-09 WO disclosed
US-20080241408-A1 Colloidal Particles for Lotus Effect JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT 2008-10-02 US disclosed
EP-1664772-A4 POROUS MATERIALS EMBEDDED WITH NANOSPECIES UNIV EMORY (US) 2007-01-03 EP disclosed
EP-1664772-A1 POROUS MATERIALS EMBEDDED WITH NANOSPECIES Emory University (US) 2006-06-07 EP disclosed
US-7037729-B2 Porous materials embedded with nanospecies, methods of fabrication thereof, and methods of use thereof EMORY UNIVERSITY (US) 2006-05-02 US disclosed
WO-2005017525-A1 POROUS MATERIALS EMBEDDED WITH NANOSPECIES EMORY UNIVERSITY (US) 2005-02-24 WO disclosed
US-20050032244-A1 Porous materials embedded with nanospecies, methods of fabrication thereof, and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-10 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 (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-20210403490-A1 NOVEL BORON COMPOUND, AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CLTB, CD79B, CYBA CYP2A6 677/4885CYP1A2 454/4885ALDH1A1 113/4885
US-12018039-B2 Boron compound, and organic light-emitting diode comprising same CLTB, CD79B, CYBA CYP2A6 446/4885CYP1A2 321/4885ALDH1A1 103/4885

“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.