SCHEMBL10179036

SCHEMBL10179036

CCO[Si](CCCSC(C)(C)C(=O)NC1CCCCC1)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
EPHX2 P34913 4/20 0.38
EPHX1 P07099 11/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10179000 0.79 EPHX1 (0.38) EPHX1
SCHEMBL10178878 0.79
SCHEMBL10178963 0.77 EPHX1 (0.37) EPHX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10179073 0.76 CYP19A1 (0.30)
SCHEMBL13338025 0.74
SCHEMBL11871017 0.74 HTT (0.44) EPHX1KDM4EALDH1A1
SCHEMBL10178857 0.74 EPHX1 (0.37) EPHX2EPHX1KDM4EALDH1A1SIGMAR1
SCHEMBL10178898 0.73 EPHX1 (0.44) EPHX2EPHX1
SCHEMBL10178829 0.73 L3MBTL1 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10178781 0.73

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-8119710-B2 Filled rubber compounds with improved processability BASF SE (DE) 2012-02-21 US disclosed
US-20100317778-A1 Filled Rubber Compounds with Improved Processability CIBA CORPORATION 2010-12-16 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-20100317778-A1 Filled Rubber Compounds with Improved Processability RER1, RIF1, REV1 PDK1 4741/4885PDK2 4503/4885PDK3 4732/4885

“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.