SCHEMBL2846232

SCHEMBL2846232

CCCC(=O)OCC(C)(C)C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
DGKA P23743 1/20 0.35
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.32
PAM P19021 2/20 0.32
BLM P54132 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP1A2 P05177 2/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
RAD52 P43351 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
SCHEMBL6709819 0.90 ALDH1A1 (0.35) ALDH1A1DGKALMNAMAPT
SCHEMBL2847460 0.89 DGKA (0.46) ALDH1A1DGKATSHRLMNAMAPT
SCHEMBL2845569 0.87 DGKA (0.53) ALDH1A1DGKATSHRLMNAMAPT
SCHEMBL4808408 0.87 ALDH1A1 (0.39) ALDH1A1DGKATSHRLMNAADRA2A
SCHEMBL3110064 0.85 DGKA (0.56) ALDH1A1DGKATSHRLMNAMAPT
SCHEMBL1933672 0.85 DGKA (0.56) ALDH1A1DGKATSHRLMNAMAPT
SCHEMBL340251 0.85 DGKA (0.56) ALDH1A1DGKATSHRLMNAMAPT
SCHEMBL341269 0.85 DGKA (0.56) ALDH1A1DGKATSHRLMNAMAPT
SCHEMBL9935881 0.85 DGKA (0.56) ALDH1A1DGKATSHRLMNAMAPT
SCHEMBL9935331 0.85 DGKA (0.56) ALDH1A1DGKATSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP claimed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US claimed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP claimed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US claimed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO claimed
EP-2465842-A1 Amines with secondary aliphatic amines Sika Technology AG (CH) 2012-06-20 EP claimed
US-20100130674-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2010-05-27 US claimed
EP-2132246-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT Sika Technology AG (CH) 2009-12-16 EP claimed
WO-2008116927-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2008-10-02 WO claimed
EP-1975187-A1 Method for manufacturing polyurethane compounds with low isocyanate-monomer content Sika Technology AG (CH) 2008-10-01 EP claimed
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP disclosed
EP-2132248-B1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2016-07-13 EP disclosed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US disclosed
EP-2090601-B1 Humidity reactive adhesive compositions with very low temperature dependency of shear modulus SIKA TECHNOLOGY AG (CH) 2016-02-17 EP disclosed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS AAAS, PNMT, PARG ALDH1A1 1074/4885DGKA 3627/4885TSHR 4479/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B ALDH1A1 3145/4885DGKA 3027/4885TSHR 180/4885

“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.