SCHEMBL2217865

SCHEMBL2217865

[CH2]CCCN(C)CCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
KDM4C Q9H3R0 8/20 0.38
KDM5A P29375 6/20 0.38
DNM1 Q05193 3/20 0.38
KDM4A O75164 2/20 0.36
PHF8 Q9UPP1 2/20 0.36
CHRM2 P08172 1/20 0.36
GGPS1 O95749 2/20 0.35
FDPS P14324 1/20 0.35
AGTR1 P30556 1/20 0.35
OPRM1 P35372 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL9035334 0.92 S1PR2 (0.42) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL5391134 0.90 DNM1 (0.52) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL5405623 0.90 DNM1 (0.52) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL5267531 0.89
SCHEMBL2303995 0.89
SCHEMBL28107821 0.88 S1PR2 (0.41) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL11501695 0.88 CHRM2 (0.43) S1PR2S1PR1S1PR3S1PR5CHRM2
SCHEMBL19733122 0.86 SIGMAR1 (0.39) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL9579289 0.86 DNM1 (0.48) S1PR2S1PR1S1PR3S1PR5KDM4C
SCHEMBL15266038 0.85 CA12 (0.44) CHRM2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461375-B2 Method for the continuous production of alkyl(meth)acrylates with multiple catalyst recycling EVONIK RÖHM GMBH (DE) 2013-06-11 US disclosed
EP-1583733-B1 IMPROVED METHOD FOR THE CONTINUOUS PRODUCTION OF ALKYL(METH)ACRYLATES WITH MULTIPLE CATALYST RECYCLING EVONIK ROEHM GMBH (DE) 2013-04-24 EP disclosed
EP-1399409-B1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF SE (DE) 2012-10-31 EP disclosed
US-20110178396-A1 Nicotinamide Derivatives CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD. (AU) 2011-07-21 US disclosed
CN-100349854-C Method for producing (meth) acrylic acid esters BASF AG (DE) 2007-11-21 CN disclosed
CN-100349851-C Method for producing acrylic acid esters BASF AG (DE) 2007-11-21 CN disclosed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
US-7268251-B2 Method for producing (meth) acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2007-09-11 US disclosed
CN-1307146-C Improved method for the continuous production of alkyl(meth)acrylates with multiple catalyst recycling ROEHM GMBH (DE) 2007-03-28 CN disclosed
US-20060211880-A1 Method for the continuous production of alkyl(meth)acrylates with multiple catalyst recycling ROEHM GMBH & CO. KG (DE) 2006-09-21 US disclosed
US-20040158096-A1 Method for producing (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2004-08-12 US disclosed
WO-2004063140-A1 IMPROVED METHOD FOR THE CONTINUOUS PRODUCTION OF ALKYL(METH)ACRYLATES WITH MULTIPLE CATALYST RECYCLING Röhm GmbH & Co. KG (DE) 2004-07-29 WO disclosed
CN-1514821-A Method for producing acrylic acid esters 巴斯福股份公司 2004-07-21 CN disclosed
EP-1399409-A1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2004-03-24 EP disclosed
EP-1399408-A1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2004-03-24 EP disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
WO-2002100814-A1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed
WO-2002100815-A1 METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP 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 (3 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-20060211880-A1 Method for the continuous production of alkyl(meth)acrylates with multiple catalyst recycling ADH5, ADH1A, ADH1C S1PR2 2722/4885S1PR1 2878/4885S1PR3 2477/4885
US-20110178396-A1 Nicotinamide Derivatives NAMPT, NNT, NNMT S1PR2 2437/4885S1PR1 2641/4885S1PR3 2139/4885
US-20040158096-A1 Method for producing (meth)acrylic acid esters ADH1A, ADH5, ADH1C S1PR2 1496/4885S1PR1 1803/4885S1PR3 1868/4885

“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.