SCHEMBL769795

SCHEMBL769795

OC[Si](CO)(CO)CCCSCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CES1 P23141 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 2/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
NOS1 P29475 2/20 0.39
GLS O94925 1/20 0.38
GBA1 P04062 2/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL769794 0.81 CALM1 (0.45) SMN1; SMN2GLSKDM4E
SCHEMBL769824 0.78 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL769785 0.78 PPARA (0.39) SMN1; SMN2
SCHEMBL1008269 0.76 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL577806 0.76 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL9180229 0.74 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL577035 0.74 CA2 (0.62) CYP1A2CYP2D6CYP2C19SMN1; SMN2CA2
SCHEMBL17354073 0.74 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL29738636 0.73 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL775567 0.72 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19CA2NOS1

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
US-9217921-B2 Resist underlayer film forming composition containing silicon having sulfide bond NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20120070994-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING SULFIDE BOND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-22 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-20120070994-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING SULFIDE BOND SMC3, SRSF3, SRSF9 CYP1A2 2231/4885CYP2D6 3040/4885CYP2C19 965/4885

“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.