SCHEMBL726800

SCHEMBL726800

CC1CCN(N2CCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3301628 0.97 ACHE (0.35) PHGDHMGLLACHEALDH1A1LMNA
Hydrochloric Acid SCHEMBL7497886 0.95 ACHE (0.34) PHGDHMGLLACHEALDH1A1POLB
Bromide SCHEMBL8688240 0.95 ACHE (0.34) PHGDHMGLLACHEALDH1A1POLB
SCHEMBL727807 0.90 ALDH1A1 (0.37) PHGDHMGLLACHEALDH1A1LMNA
SCHEMBL3446740 0.90 ALDH1A1 (0.39) ALDH1A1LMNAPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL7497872 0.87 ALDH1A1 (0.38) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL10451712 0.87 ALDH1A1 (0.38) ACHEALDH1A1LMNAPOLBMEN1
Bromide SCHEMBL8688236 0.87 ALDH1A1 (0.38) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL10982018 0.86 ACHE (0.41) PHGDHMGLLACHEALDH1A1POLB
SCHEMBL8802556 0.83 ACHE (0.44) PHGDHMGLLACHEALDH1A1POLB

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
JP-4763285-B2 2011-08-31 JP claimed
EP-1521781-B1 PREPARATION OF FUNCTIONALIZED ANIONIC POLYMERIZATION INITIATORS BRIDGESTONE CORP (JP) 2009-03-25 EP claimed
US-7405262-B2 Preparation of functionalized anionic polymerization initiators BRIDGESTONE CORPORATION (JP) 2008-07-29 US claimed
US-20060036050-A1 Preparation of functionalized anionic polymerization initiators BRIDGESTONE CORPORATION (JP) 2006-02-16 US claimed
EP-1521781-A2 PREPARATION OF FUNCTIONALIZED ANIONIC POLYMERIZATION INITIATORS Bridgestone Corporation (JP) 2005-04-13 EP claimed
WO-2004007563-A2 PREPARATION OF FUNCTIONALIZED ANIONIC POLYMERIZATION INITIATORS BRIDGESTONE CORPORATION (JP) 2004-01-22 WO claimed
US-9000070-B2 Mixing of telechelic rubber formulations BRIDGESTONE CORPORATION (JP) 2015-04-07 US disclosed
US-20130116360-A1 MIXING OF TELECHELIC RUBBER FORMULATIONS BRIDGESTONE CORPORATION (JP) 2013-05-09 US disclosed
US-7671139-B1 Functionalized polymers and tires made therefrom BRIDGESTONE CORPORATION (JP) 2010-03-02 US disclosed
EP-1521781-B1 PREPARATION OF FUNCTIONALIZED ANIONIC POLYMERIZATION INITIATORS BRIDGESTONE CORP (JP) 2009-03-25 EP disclosed
US-7405262-B2 Preparation of functionalized anionic polymerization initiators BRIDGESTONE CORPORATION (JP) 2008-07-29 US disclosed
US-20060036050-A1 Preparation of functionalized anionic polymerization initiators BRIDGESTONE CORPORATION (JP) 2006-02-16 US disclosed
EP-1521781-A2 PREPARATION OF FUNCTIONALIZED ANIONIC POLYMERIZATION INITIATORS Bridgestone Corporation (JP) 2005-04-13 EP disclosed
WO-2004007563-A2 PREPARATION OF FUNCTIONALIZED ANIONIC POLYMERIZATION INITIATORS BRIDGESTONE CORPORATION (JP) 2004-01-22 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-20060036050-A1 Preparation of functionalized anionic polymerization initiators PKD1, ALG8, ALG3 PHGDH 3570/4885MGLL 2906/4885ACHE 2766/4885

“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.