SCHEMBL9609686

SCHEMBL9609686

CCO[Si](CCCOCC(=O)c1ccc2ccccc2c1)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 6/20 0.44
HPGD P15428 5/20 0.44
PTPN1 P18031 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 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
SCHEMBL19698077 0.82 HRH3 (0.55) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL6692571 0.82 SMN1; SMN2 (0.51) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL7948723 0.81 THRA (0.52) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL9536383 0.80 ALDH1A1 (0.55) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL9609685 0.80 ALDH1A1 (0.46) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL7947562 0.72 KDM4E (0.46) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL19698075 0.71 HRH3 (0.52) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL6906641 0.71 PTPN1 (0.61) ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL2796850 0.70 L3MBTL1 (0.59) ALDH1A1SMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL2719259 0.69 EPHX2 (0.41) CES2

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 ALDH1A1 1103/4885NPC1 1763/4885SMN1; SMN2 992/4885

“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.