SCHEMBL1931055

SCHEMBL1931055

CC(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
APLNR P35414 2/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MME P08473 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA2 P00918 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL1931051 1.00 CYP1A2 (0.38) CYP1A2APLNRALDH1A1LMNAKMT2A
SCHEMBL12535883 0.87 STAT3 (0.37) APLNRALDH1A1LMNASMN1; SMN2CYP2C19
SCHEMBL7453168 0.87 STAT3 (0.37) APLNRALDH1A1LMNASMN1; SMN2CYP2C19
SCHEMBL6525612 0.85 ATM (0.39) ALDH1A1KMT2ACYP2C9MEN1MAPT
SCHEMBL1932530 0.78 DGAT1 (0.40) CA2
SCHEMBL1932528 0.78 DGAT1 (0.40) CA2
SCHEMBL17440865 0.76 IRAK4 (0.37)
SCHEMBL5734584 0.75 CA2 (0.40) CYP1A2APLNRALDH1A1CYP2D6CYP2C9
SCHEMBL9645747 0.75 PYCR1 (0.38) CYP1A2APLNRALDH1A1CYP2D6CYP2C9
SCHEMBL5732344 0.74 CA2 (0.39) APLNRALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20160340332-A1 Compositions Comprising TPGS-750-M S100A10, S100A6, TPR CYP1A2 4188/4885APLNR 1733/4885ALDH1A1 4415/4885
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 CYP1A2 4205/4885APLNR 1301/4885ALDH1A1 3372/4885
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 CYP1A2 4205/4885APLNR 1301/4885ALDH1A1 3372/4885
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 CYP1A2 4205/4885APLNR 1301/4885ALDH1A1 3372/4885

“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.