SCHEMBL13234985

SCHEMBL13234985

CCC(C)CCCCCCCCCCCCCOCCCO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ GBA2 Q9HCG7 3/20 0.30

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
SCHEMBL13346947 0.92 MEN1 (0.55) HTTMEN1KMT2ATHRBMAPT
SCHEMBL9750896 0.89 HTT (0.38) HTTMEN1KMT2ATHRBMAPT
SCHEMBL8955697 0.88 MEN1 (0.45) HTTMEN1KMT2ATHRBMAPT
SCHEMBL17103147 0.87 LMNA (0.38) HTTMEN1KMT2ATHRBMAPT
SCHEMBL12354883 0.83 HTT (0.43) HTTMEN1KMT2ATHRBMAPT
SCHEMBL18511894 0.83 HTT (0.39) HTTMEN1KMT2ATHRBMAPT
SCHEMBL18512391 0.83 HTT (0.39) HTTMEN1KMT2ATHRBMAPT
SCHEMBL18512715 0.83 HTT (0.43) HTTMEN1KMT2ATHRBMAPT
SCHEMBL25479121 0.83 MEN1 (0.34) HTTMEN1KMT2ATHRBMAPT
SCHEMBL1409158 0.83 LMNA (0.46) MEN1KMT2ATSHRSPHK1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749983-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2010-07-06 — — US disclosed
US-7749983-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2010-07-06 — — US disclosed
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2008-01-10 — — US disclosed
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2008-01-10 — — US disclosed
WO-2007130783-A2 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES CHIMERIX, INC. (US) 2007-11-15 — — 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-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 HTT 3257/4885MEN1 2347/4885KMT2A 3102/4885

“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.

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