SCHEMBL3587679

SCHEMBL3587679

COC(=O)CCCCCC1OC(C)(C)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
GLS O94925 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
PPARG P37231 2/20 0.39
NR2E3 Q9Y5X4 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.36
PTGER2 P43116 1/20 0.36
EPHX2 P34913 3/20 0.35
KAT2B Q92831 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
SCHEMBL3581987 0.81 TDP1 (0.41) TSHRGLSTDP1PPARGNR2E3
SCHEMBL18916559 0.80 GLS (0.47) TSHRGLSMAPTL3MBTL1ALDH1A1
SCHEMBL1623010 0.80 GLS (0.47) TSHRGLSMAPTL3MBTL1ALDH1A1
SCHEMBL1623008 0.80 GLS (0.47) TSHRGLSMAPTL3MBTL1ALDH1A1
SCHEMBL8775455 0.76 PTPN1 (0.44) GLS
SCHEMBL8775465 0.76 PTPN1 (0.44) GLS
SCHEMBL8775616 0.76 PTPN1 (0.44) GLS
SCHEMBL20630768 0.72 TSHR (0.41) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL20630501 0.72 TSHR (0.41) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL2158180 0.70 GLS (0.40) GLSL3MBTL1

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 7 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
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
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
CN-101641341-A Amide compounds and their use as antitumor agents SIGMA TAU IND FARMACEUTI IT 2010-02-03 CN 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
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 TSHR 2522/4885GLS 431/4885TDP1 4833/4885

“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.