SCHEMBL342653

SCHEMBL342653

CCCC(=O)N(C)CC(C)(C)C=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 2/20 0.31
CNR1 P21554 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL23469843 0.79 ALDH1A1 (0.38) ALDH1A1EPHX2CNR1CES2CES1
SCHEMBL24772215 0.78 ALDH1A1 (0.37) ALDH1A1EPHX2CNR1CES2CES1
SCHEMBL25543626 0.76 ALDH1A1 (0.35) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL341265 0.76 PKM (0.38) ALDH1A1
SCHEMBL342403 0.75 CHRM1 (0.35)
SCHEMBL14842880 0.74 ALDH1A1 (0.37) ALDH1A1CES2CES1FFAR3HDAC3
SCHEMBL3026178 0.71 ALDH1A1 (0.38) ALDH1A1EPHX2CNR1CES2CES1
SCHEMBL792559 0.69
SCHEMBL343207 0.69 CA2 (0.44)
SCHEMBL5962469 0.69 HDAC6 (0.36) HDAC1HDAC2

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 33 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-8157950-B2 Aldimine and composition containing aldimine SIKA TECHNOLOGY AG (CH) 2012-04-17 US claimed
US-20110253309-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2011-10-20 US claimed
EP-2194082-B1 Aldimine and composition comprising aldimine SIKA TECHNOLOGY AG (CH) 2011-09-07 EP claimed
WO-2010063741-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-06-10 WO claimed
EP-2194082-A1 Aldimine and composition comprising aldimine Sika Technology AG (CH) 2010-06-09 EP claimed
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP disclosed
EP-2414418-B1 COMPOSITION CURABLE IN TWO STAGES COMPRISING A SURFACE DEACTIVATED POLYISOCYANATE SIKA TECH AG (CH) 2017-08-09 EP disclosed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US disclosed
US-9011630-B2 Hot curing or heat-activated composition containing a surface-deactivated polyisocyanate SIKA TECHNOLOGIES AG (CH) 2015-04-21 US disclosed
WO-2010112536-A1 HOT CURING OR HEAT-ACTIVATED COMPOSITION CONTAINING A SURFACE-DEACTIVATED POLYISOCYANATE SIKA TECHNOLOGY AG (CH) 2010-10-07 WO disclosed
EP-2236535-A1 Humidity curing polyurethane composition being accelerated by influence of heat Sika Technology AG (CH) 2010-10-06 EP disclosed
EP-2236533-A1 Heat curing or heat activatable composition comprising a surface deactivated polyisocyanate Sika Technology AG (CH) 2010-10-06 EP disclosed
EP-2236534-A1 Composition curable in two stages comprising a surface deactivated polyisocyanate Sika Technology AG (CH) 2010-10-06 EP disclosed
EP-2194082-A1 Aldimine and composition comprising aldimine Sika Technology AG (CH) 2010-06-09 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 (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 1074/4885EPHX2 145/4885CNR1 3503/4885
US-20110253309-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE ALDH7A1, ALDH3A1, ADH5 ALDH1A1 4/4885EPHX2 1579/4885CNR1 4177/4885

“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.