SCHEMBL9609736

SCHEMBL9609736

CCO[Si](CCC(O)COCc1ccc2ccc3ccccc3c2c1)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.38
TACR1 P25103 3/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL9609730 0.90 CASR (0.47) CASRTACR1CYP1A2CA1CA2
SCHEMBL9609745 0.81 CASR (0.37) CASRTACR1CA1CA2CA7
SCHEMBL9609735 0.80 CYP1A2 (0.37) TACR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12187719 0.79 CASR (0.41) CASRTACR1CYP1A2CYP2D6CA1
SCHEMBL13029161 0.78 CA1 (0.37) CASRTACR1CYP1A2CYP2D6CA1
SCHEMBL9609691 0.78 KDM4E (0.39) CYP1A2CYP2D6CA1CA2CA7
SCHEMBL9609711 0.77 MMP12 (0.39) ALDH1A1PRMT5WDR77
SCHEMBL9609749 0.77 CA1 (0.36) CYP1A2CYP2D6CA1CA2CA7
SCHEMBL12227914 0.74 ALDH1A1 (0.47) TACR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL9609737 0.71 HTT (0.43) CYP1A2CYP2D6CYP2C19ALDH1A1CYP3A4

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 CASR 4029/4885TACR1 3554/4885CYP1A2 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.