SCHEMBL1619627

SCHEMBL1619627

CN1CCN(CCCCCCCCCCCCO)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.59
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
HTR7 P34969 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PNMT P11086 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39

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
SCHEMBL1403846 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL1403872 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL1619610 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL5880368 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL20231224 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL1404033 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL25387214 0.98 PAOX (0.55) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL9368 0.98 PAOX (0.55) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL8866 0.90 PAOX (0.52) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL11899867 0.90 HRH3 (0.52) PAOXHRH3GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399409-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF SE (DE) 2012-10-31 EP claimed
EP-1399408-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AG (DE) 2006-03-22 EP claimed
US-10174349-B2 Recombinant cell producing 2-hydroxyisobutyric acid EVONIK ROEHM GMBH (DE) 2019-01-08 US disclosed
EP-2291530-B1 RECOMBINANT CELL PRODUCING 2-HYDROXYISOBUTYRIC ACID EVONIK ROEHM GMBH (DE) 2018-12-26 EP disclosed
CN-107083352-A Produce the recombinant cell of 2 hydroxy-iso-butyric acids 赢创罗姆有限公司 2017-08-22 CN disclosed
EP-2125771-B1 PROCESS FOR PREPARING TETRAMETHYL GLYCOLIDE EVONIK ROEHM GMBH (DE) 2013-03-20 EP disclosed
US-8207371-B2 Process for preparing (meth)acrylic acid EVONIK RÖHM GMBH (DE) 2012-06-26 US disclosed
US-20110171702-A1 RECOMBINANT CELL PRODUCING 2-HYDROXYISOBUTYRIC ACID EVONIK ROEHM GMBH (DE) 2011-07-14 US disclosed
US-7928251-B2 Process for preparing tetramethyl glycolide EVONIK ROEHM GMBH (DE) 2011-04-19 US disclosed
US-20100029979-A1 PROCESS FOR PREPARING (METH)ACRYLIC ACID EVONIK ROEHM GMBH (DE) 2010-02-04 US disclosed
US-20100010276-A1 PROCESS FOR PREPARING TETRAMETHYL GLYCOLIDE EVONIK ROEHM GMBH (DE) 2010-01-14 US disclosed
EP-2125771-A1 PROCESS FOR PREPARING TETRAMETHYL GLYCOLIDE Evonik Röhm GmbH (DE) 2009-12-02 EP disclosed
EP-2091906-A1 PROCESS FOR PREPARING (METH)ACRYLIC ACID Evonik Röhm GmbH (DE) 2009-08-26 EP disclosed
WO-2008061819-A1 PROCESS FOR PREPARING (METH)ACRYLIC ACID EVONIK RÖHM GMBH (DE) 2008-05-29 WO disclosed
WO-2008061821-A1 PROCESS FOR PREPARING TETRAMETHYL GLYCOLIDE EVONIK RÖHM GMBH (DE) 2008-05-29 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-20100029979-A1 PROCESS FOR PREPARING (METH)ACRYLIC ACID MMAB, ASS1, PAM PAOX 1668/4885SIGMAR1 4037/4885HRH3 1726/4885

“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.