SCHEMBL13445491

SCHEMBL13445491

COCC(=O)OCC(COC(=O)COC)(COC(=O)COC)COC(=O)COC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
HIF1A Q16665 2/20 0.34
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA2 P00918 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9937439 0.81 HTT (0.46) TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL9936671 0.79 HTT (0.31) HTT
SCHEMBL13141065 0.78 TSHR (0.38) TSHRALDH1A1CA2HTT
SCHEMBL16917836 0.76 MAPK1 (0.33) MAPK1HIF1AALDH1A1TP53CYP3A4
SCHEMBL2600806 0.76 NAAA (0.39) MAPK1HIF1AALDH1A1
SCHEMBL23471219 0.76 KDM4E (0.38) CA2
SCHEMBL9937986 0.76
SCHEMBL9630407 0.76 MEN1 (0.30) MAPK1HIF1ATSHRALDH1A1CYP3A4
SCHEMBL12172802 0.76
SCHEMBL20664518 0.75 TSHR (0.46) MAPK1HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683202-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-23 US disclosed
US-20080249252-A1 New permanent surface modifiers PICCINELLI PIERO 2008-10-09 US disclosed
US-7408077-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 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-20080249252-A1 New permanent surface modifiers SGMS1, SGMS2, PLIN5 MAPK1 3540/4885HIF1A 1817/4885TSHR 3501/4885

“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.