SCHEMBL3579061

SCHEMBL3579061

COC(=O)CCCCCC(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.40
PTPRC P08575 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PTPN13 Q12923 1/20 0.38
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.38
LTB4R Q15722 1/20 0.38
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPT P10636 1/20 0.36
TBXAS1 P24557 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
SCHEMBL3580528 1.00 L3MBTL1 (0.44) L3MBTL1PPARGPPARAPTPRCADRB2
SCHEMBL3579064 1.00 L3MBTL1 (0.44) L3MBTL1PPARGPPARAPTPRCADRB2
SCHEMBL3586953 0.86 LMNA (0.38) L3MBTL1PPARGPPARAPTPRCPTPN13
SCHEMBL13345438 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL7870035 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL7870032 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3
SCHEMBL24339526 0.83 CSNK1E (0.39) APOBEC3G
SCHEMBL18641633 0.83 CSNK1E (0.39) APOBEC3G
SCHEMBL29020895 0.83 CSNK1E (0.39) APOBEC3G
SCHEMBL18665359 0.83 CSNK1E (0.39) APOBEC3G

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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 US disclosed
EP-2137169-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-12-30 EP disclosed
WO-2008110583-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-09-18 WO 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 L3MBTL1 1864/4885PPARG 1330/4885PPARA 1556/4885

“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.