SCHEMBL3586953

SCHEMBL3586953

COC(=O)CCCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
PPARG P37231 2/20 0.38
HDAC2 Q92769 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 1/20 0.36
PTPN13 Q12923 1/20 0.36
PPARA Q07869 1/20 0.36
TBXAS1 P24557 1/20 0.35
LTB4R Q15722 1/20 0.35
GHSR Q92847 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3579061 0.86 L3MBTL1 (0.44) LMNAPPARGHDAC2PTPRCPTPN13
SCHEMBL3579064 0.86 L3MBTL1 (0.44) LMNAPPARGHDAC2PTPRCPTPN13
SCHEMBL3580528 0.86 L3MBTL1 (0.44) LMNAPPARGHDAC2PTPRCPTPN13
SCHEMBL15027682 0.84 PPARG (0.42) LMNAPPARGHDAC2ALDH1A1SMN1; SMN2
SCHEMBL13345392 0.84 HTT (0.35) ALDH1A1SMN1; SMN2
SCHEMBL5079142 0.80 LTB4R (0.47) LMNAPPARGHDAC2ALDH1A1SMN1; SMN2
SCHEMBL26100458 0.80 LMNA (0.42) LMNAALDH1A1SMN1; SMN2TBXAS1LTB4R
SCHEMBL3578759 0.80 ATM (0.40) PPARGHDAC2PPARA
SCHEMBL3578761 0.80 ATM (0.40) PPARGHDAC2PPARA
SCHEMBL15027984 0.77 ALOX5 (0.39) PPARGALDH1A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH LMNA 3032/4885PPARG 1330/4885HDAC2 27/4885

“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.