SCHEMBL769897

SCHEMBL769897

CC(C)(C)Oc1ccc(CCSCCC[Si](C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 1/20 0.31
ACACB O00763 1/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL17354078 0.86 PPARA (0.34) PPARAALDH1A1POLBKDM4E
SCHEMBL769785 0.85 PPARA (0.39) PPARAPPARGACACBALDH1A1
SCHEMBL17354075 0.83 PPARA (0.33) PPARAALDH1A1KDM4E
SCHEMBL770348 0.82 PPARA (0.37) PPARACYP1A2CYP2D6CYP2C19PPARG
SCHEMBL769824 0.77 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19
SCHEMBL770492 0.77 SMN1; SMN2 (0.45) POLB
SCHEMBL10338732 0.71 PPARA (0.42) PPARAPPARGACACBALDH1A1KDM4E
SCHEMBL4858558 0.71 PPARA (0.42) PPARAPPARGACACBALDH1A1KDM4E
SCHEMBL13108516 0.71 PPARA (0.36) PPARAPPARGACACB
SCHEMBL17354072 0.71 CALM1 (0.45) ALDH1A1POLBKDM4E

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 PPARA 4167/4885CYP1A2 2231/4885CYP2D6 3040/4885

“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.