SCHEMBL1169963

SCHEMBL1169963

Cc1cc(C)c(COCCOCCOCCOCCO)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HTR7 P34969 1/20 0.38
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
APP P05067 3/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 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
SCHEMBL1170455 1.00 HTR1A (0.45) HTR1AMEN1KMT2ATSHRMAPK1
SCHEMBL12595155 0.82 L3MBTL1 (0.35) HTR1AHTR7MAPTALDH1A1LMNA
SCHEMBL12865229 0.82 PTPN1 (0.33) HTR1ATSHRHTR7MAPTALDH1A1
SCHEMBL12595162 0.82 HPGD (0.34) HTR1AHTR7MAPTALDH1A1LMNA
SCHEMBL12595154 0.82 L3MBTL1 (0.35) HTR1AHTR7MAPTALDH1A1LMNA
SCHEMBL7890511 0.79 HRH3 (0.39) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL18092254 0.78 PTPN1 (0.35) ALDH1A1
SCHEMBL1170456 0.76 HTR1A (0.40) HTR1AMEN1KMT2ATSHRMAPK1
SCHEMBL1169962 0.76 HTR1A (0.40) HTR1AMEN1KMT2ATSHRMAPK1
SCHEMBL11356421 0.76 HRH3 (0.32) MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594440-B1 THE SELECTIVE AND SPECIFIC PREPARATION OF DISCRETE PEG COMPOUNDS QUANTA BIODESIGN LTD (US) 2019-07-03 EP disclosed
US-8637711-B2 Selective and specific preparation of discrete PEG compounds QUANTA BIODESIGN, LTD. (US) 2014-01-28 US disclosed
US-8637711-B2 Selective and specific preparation of discrete PEG compounds QUANTA BIODESIGN, LTD. (US) 2014-01-28 US disclosed
US-8637711-B2 Selective and specific preparation of discrete PEG compounds QUANTA BIODESIGN, LTD. (US) 2014-01-28 US disclosed
US-20110124844-A1 Selective and Specific Preparation of Discrete Peg Compounds AUDAX PRIVATE DEBT LLC, AS AGENT 2011-05-26 US disclosed
US-20110124844-A1 Selective and Specific Preparation of Discrete Peg Compounds AUDAX PRIVATE DEBT LLC, AS AGENT 2011-05-26 US disclosed
US-20110124844-A1 Selective and Specific Preparation of Discrete Peg Compounds AUDAX PRIVATE DEBT LLC, AS AGENT 2011-05-26 US disclosed
US-7888536-B2 Selective and specific preparation of discrete PEG compounds QUANTA BIODESIGN, LTD. (US) 2011-02-15 US disclosed
US-7888536-B2 Selective and specific preparation of discrete PEG compounds QUANTA BIODESIGN, LTD. (US) 2011-02-15 US disclosed
US-7888536-B2 Selective and specific preparation of discrete PEG compounds QUANTA BIODESIGN, LTD. (US) 2011-02-15 US disclosed
EP-1594440-A4 THE SELECTIVE AND SPECIFIC PREPARATION OF DISCRETE PEG COMPOUNDS QUANTA BIODESIGN LTD (US) 2006-12-27 EP disclosed
US-20060020134-A1 Selective and specific preparation of discrete peg compounds AUDAX PRIVATE DEBT LLC, AS AGENT 2006-01-26 US disclosed
EP-1594440-A2 THE SELECTIVE AND SPECIFIC PREPARATION OF DISCRETE PEG COMPOUNDS Quanta Biodesign, Ltd. (US) 2005-11-16 EP disclosed
WO-2004073620-A2 THE SELECTIVE AND SPECIFIC PREPARATION OF DISCRETE PEG COMPOUNDS QUANTA BIODESIGN, LTD (US) 2004-09-02 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 (2 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-20110124844-A1 Selective and Specific Preparation of Discrete Peg Compounds PARG, GNE, PAM HTR1A 4681/4885MEN1 2562/4885KMT2A 4631/4885
US-20060020134-A1 Selective and specific preparation of discrete peg compounds PARG, GNE, PAM HTR1A 4681/4885MEN1 2562/4885KMT2A 4631/4885

“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.