SCHEMBL343034

SCHEMBL343034

CCCCC(CC)CN(CC(C)(C)C=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.38
TSHR P16473 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 2/20 0.35
CA1 P00915 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2450060 0.85 CA2 (0.40) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL7789131 0.82 CA2 (0.48) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL18531388 0.79 CA2 (0.46) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL15553019 0.78 CYP3A4 (0.40) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL342111 0.78 CA12 (0.41) CA2ALDH1A1CA1LMNA
SCHEMBL9419541 0.78 CA2 (0.44) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL12805914 0.74 CA2 (0.44) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL15238199 0.73 CA2 (0.50) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL17363802 0.72 CA2 (0.48) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL12788048 0.72 CA2 (0.48) CA2TSHRALDH1A1CYP3A4TDP1

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 35 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
CN-103261145-B There is the amine of secondary aliphatic amino group SIKA TECHNOLOGY AG (CH) 2016-04-13 CN claimed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US claimed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US 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
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
CN-103261145-B There is the amine of secondary aliphatic amino group SIKA TECHNOLOGY AG (CH) 2016-04-13 CN 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
WO-2010063741-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-06-10 WO 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 CA2 4635/4885TSHR 4479/4885ALDH1A1 1074/4885
US-20110253309-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE ALDH7A1, ALDH3A1, ADH5 CA2 2967/4885TSHR 4863/4885ALDH1A1 4/4885

“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.