SCHEMBL9609737

SCHEMBL9609737

CCO[Si](CCCNC(=O)OCc1ccc2ccc3ccccc3c2c1)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
NCEH1 Q6PIU2 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.40
TGM2 P21980 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL9609731 0.90 TGM2 (0.47) HTTMAPTL3MBTL1FAAHTGM2
SCHEMBL14074635 0.83 EPHX1 (0.47) HTTNCEH1CYP1A2CYP2D6FAAH
SCHEMBL2145355 0.82 HTT (0.62) HTTMAPTL3MBTL1FAAHTGM2
SCHEMBL9609746 0.82 HTT (0.41) HTTMAPTL3MBTL1FAAHTGM2
SCHEMBL6537376 0.81 HTT (0.44) HTTMAPTL3MBTL1FAAHTGM2
SCHEMBL9609732 0.79 MC5R (0.44) HDAC3HDAC1HDAC2HDAC8
SCHEMBL9609714 0.78 HTT (0.43) HTTCYP1A2MAPTL3MBTL1FAAH
SCHEMBL9609735 0.78 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19L3MBTL1CYP3A4
SCHEMBL9609754 0.78 FAAH (0.41) HTTCYP2D6MAPTL3MBTL1FAAH
SCHEMBL13029160 0.77 HTT (0.42) HTTMAPTL3MBTL1FAAHTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921243-B2 Fabrics comprising a photocatalyst to produce singlet oxygen from ambient oxygen VENTANA RESEARCH CORPORATION 2014-12-30 US disclosed
US-8481446-B2 Chemically-resistant coating composition VENTANA RESEARCH CORPORATION 2013-07-09 US disclosed
US-20120135651-A1 Fabrics Comprising a Photocatalyst to Produce Singlet Oxygen from Ambient Oxygen VENTANA RESEARCH CORPORATION 2012-05-31 US disclosed
US-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION VENTANA RESEARCH CORPORATION 2010-11-04 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 (1 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-20100279850-A1 CHEMICALLY-RESISTANT COATING COMPOSITION DNMT1, VCL, DNMT3L HTT 2989/4885NCEH1 4445/4885CYP1A2 874/4885

“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.