SCHEMBL1931040

SCHEMBL1931040

C=CCc1ccccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ADRA2C P18825 5/20 0.42
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
HTR1A P08908 4/20 0.42
KCNH2 Q12809 2/20 0.42
NISCH Q9Y2I1 1/20 0.42
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
LMNA P02545 2/20 0.41
ADRB3 P13945 1/20 0.41
SLC6A2 P23975 1/20 0.41
BDKRB2 P30411 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL9944001 0.84 HTT (0.34) ALDH1A1CYP1A2CYP2D6KDM4EMAPT
SCHEMBL4982126 0.84 CYP3A4 (0.40) ALDH1A1ADRA2CADRA2AADRA2BKDM4E
SCHEMBL29699897 0.83 ALDH1A1 (0.47) ALDH1A1ADRA2CADRA2AADRA2BHTR1A
SCHEMBL8961842 0.83 ALDH1A1 (0.47) ALDH1A1ADRA2CADRA2AADRA2BHTR1A
SCHEMBL8961940 0.83 ALDH1A1 (0.47) ALDH1A1ADRA2CADRA2AADRA2BHTR1A
SCHEMBL8503481 0.82 GABRA1 (0.38) ALDH1A1KDM4E
SCHEMBL14457913 0.81 XPO1 (0.38) ALDH1A1ADRA2CHTR1AKCNH2ADRB2
SCHEMBL8961862 0.80 ALDH1A1 (0.48) ALDH1A1ADRA2CADRA2AADRA2BHTR1A
SCHEMBL7240943 0.80 RIPK1 (0.36)
SCHEMBL2325955 0.80 RIPK1 (0.36)

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-12251370-B2 Small molecule inhibitors of the BfrB:Bfd interaction BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2025-03-18 US disclosed
US-20220031661-A1 SMALL MOLECULE INHIBITORS OF THE BFRB:BFD INTERACTION UNIVERSITY OF KANSAS 2022-02-03 US disclosed
US-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-04-23 US disclosed
US-9656985-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-9656986-B2 Compositions comprising TPGS-750-M MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-9656985-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-9656986-B2 Compositions comprising TPGS-750-M MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-03-16 US disclosed
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-03-16 US disclosed
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECH LLC (US) 2016-12-01 US disclosed
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECH LLC (US) 2016-12-01 US disclosed
US-20160340332-A1 Compositions Comprising TPGS-750-M MYCELL TECH LLC (US) 2016-11-24 US disclosed
US-20160340332-A1 Compositions Comprising TPGS-750-M MYCELL TECH LLC (US) 2016-11-24 US disclosed
US-8785665-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2014-07-22 US disclosed
US-8785665-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2014-07-22 US disclosed
EP-2506970-A1 SURFACTANT-ENABLED TRANSITION METAL-CATALYZED CHEMISTRY Mycell Holdings Limited (US) 2012-10-10 EP disclosed
WO-2011068895-A1 SURFACTANT-ENABLED TRANSITION METAL-CATALYZED CHEMISTRY MyCell Holdings Limited (US) 2011-06-09 WO disclosed
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MyCell Holdings Limited 2011-06-02 US disclosed
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MyCell Holdings Limited 2011-06-02 US disclosed
US-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-07-05 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 (8 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-20070155975-A1 Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts OXER1, OSTC, OXSR1 ALDH1A1 1898/4885ADRA2C 3139/4885ADRA2A 3516/4885
US-12251370-B2 Small molecule inhibitors of the BfrB:Bfd interaction BLVRB, TFPI, ETFB ALDH1A1 2584/4885ADRA2C 4693/4885ADRA2A 4712/4885
US-20160340332-A1 Compositions Comprising TPGS-750-M S100A10, S100A6, TPR ALDH1A1 4415/4885ADRA2C 4839/4885ADRA2A 4719/4885
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 ALDH1A1 3372/4885ADRA2C 4790/4885ADRA2A 4377/4885
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 ALDH1A1 3372/4885ADRA2C 4790/4885ADRA2A 4377/4885
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 ALDH1A1 3372/4885ADRA2C 4790/4885ADRA2A 4377/4885
US-20220031661-A1 SMALL MOLECULE INHIBITORS OF THE BFRB:BFD INTERACTION BLVRB, TFPI, ETFB ALDH1A1 2584/4885ADRA2C 4693/4885ADRA2A 4712/4885
US-10266503-B1 Sulfoxide ligand metal catalyzed oxidation of olefins YAP1, ICOSLG, SPIN3 ALDH1A1 1012/4885ADRA2C 784/4885ADRA2A 1935/4885

“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.