SCHEMBL669242

SCHEMBL669242

CC(C)(C)NC(=O)C(=O)O.CC(C)O[Ti](OC(C)C)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32

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
SCHEMBL669001 0.80 KDM5B (0.42) POLBCYP2C9SMN1; SMN2ALPLALPI
SCHEMBL669976 0.78 CYP2C9 (0.35) POLBCYP2C9SMN1; SMN2ALPLALPI
SCHEMBL19500089 0.68 SMN1; SMN2 (0.42) POLBCYP2C9SMN1; SMN2ALPLALPI
SCHEMBL13218356 0.67 PIK3CD (0.48) POLB
SCHEMBL668795 0.67 ALPL (0.34) POLBCYP2C9SMN1; SMN2ALPLALPI
SCHEMBL6859267 0.67 KDM4E (0.46) POLBCYP2C9SMN1; SMN2ALPLALPI
SCHEMBL434405 0.66
SCHEMBL24019751 0.64 POLB (0.43) POLBCYP2C9SMN1; SMN2
SCHEMBL11615727 0.64 MGAM (0.42) POLB
Hydrochloric Acid SCHEMBL496062 0.64

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-8642797-B2 Amidate precursors for depositing metal containing films AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-02-04 US disclosed
US-20120045589-A1 Amidate Precursors For Depositing Metal Containing Films AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-02-23 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-20120045589-A1 Amidate Precursors For Depositing Metal Containing Films TERT, METTL3, TAF5 POLB 2657/4885CYP2C9 3906/4885SMN1; SMN2 2947/4885

“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.