SCHEMBL1931966

SCHEMBL1931966

Clc1ccc(C/C=C/c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.49
GRIN2B Q13224 2/20 0.49
MAOB P27338 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 1/20 0.45
CYP1B1 Q16678 1/20 0.44
KCNA3 P22001 3/20 0.43
IDO1 P14902 2/20 0.42
PAM P19021 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
EGFR P00533 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 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
SCHEMBL1931967 1.00 GRIN1 (0.49) GRIN1GRIN2BMAOBLMNAALDH1A1
SCHEMBL29804851 0.92 MAOB (0.54) GRIN1GRIN2BMAOBLMNAMEN1
SCHEMBL8333012 0.92 MAOB (0.54) GRIN1GRIN2BMAOBLMNAMEN1
SCHEMBL16052780 0.92 MAOB (0.54) GRIN1GRIN2BMAOBLMNAMEN1
SCHEMBL3851041 0.90 AHR (0.46) ALDH1A1KCNA3IDO1
SCHEMBL10602496 0.90 AHR (0.46) ALDH1A1KCNA3IDO1
SCHEMBL4256257 0.85 MAOB (0.67) MAOBALDH1A1MEN1KMT2AKDM4E
SCHEMBL1892917 0.85 MAOB (0.67) MAOBALDH1A1MEN1KMT2AKDM4E
SCHEMBL163963 0.85 MAOB (0.67) MAOBALDH1A1MEN1KMT2AKDM4E
Fluoride SCHEMBL28109078 0.83 MAOB (0.64) GRIN1GRIN2BMAOBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
US-8785665-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2014-07-22 US disclosed
CN-102892504-A Surfactant-enabled transition metal-catalyzed chemistry MYCELL HOLDINGS LTD 2013-01-23 CN 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
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-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MyCell Holdings Limited 2011-06-02 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 (3 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-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 GRIN1 1382/4885GRIN2B 3048/4885MAOB 4159/4885
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 GRIN1 1382/4885GRIN2B 3048/4885MAOB 4159/4885
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 GRIN1 1382/4885GRIN2B 3048/4885MAOB 4159/4885

“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.