SCHEMBL7030359

SCHEMBL7030359

[SiH3]C1(C2([SiH2]Cc3cccc4ccccc34)CCCCO2)CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
SLC18A2 Q05940 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2D6 P10635 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
ACP3 P15309 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL7035939 0.80
Methane SCHEMBL466523 0.79
SCHEMBL7036707 0.73
SCHEMBL466858 0.72 HTR1A (0.34) ADRA1DADRA1B
SCHEMBL7031775 0.70 ALDH1A1 (0.33) CYP2C19TDP1MAPK1
Naphthalen-1-Yl-Methanol SCHEMBL971788 0.64 L3MBTL1 (0.47) SLC18A2CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL7035964 0.62 LMNA (0.30)
SCHEMBL21647351 0.62
Benzene SCHEMBL7033229 0.62
SCHEMBL28348749 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2505613-A1 COMPOSITION, CURED PRODUCT, AND ELECTRONIC DEVICE JSR Corporation (JP) 2012-10-03 EP disclosed
US-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-04-03 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-20030065117-A1 Modified silicone compound, process of producing the same, and cured object obtained therefrom ORMDL3, SGMS1, HEATR1 SLC6A2 4842/4885SLC6A3 4817/4885SLC6A4 4795/4885

“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.