SCHEMBL2107512

SCHEMBL2107512

CC(CCCNCCCN)CNCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
ALOX15 P16050 3/20 0.50
CASP2 P42575 2/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50
THPO P40225 2/20 0.50
MEN1 O00255 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA3 P07451 3/20 0.48

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
SCHEMBL30292581 0.93 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL21982018 0.92 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL21164243 0.92 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL14413917 0.91 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL8863209 0.87 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL24175702 0.86 LMNA (0.43) CA12CA6CA7CA9CA14
SCHEMBL21799519 0.85 CA12 (0.42) CA12CA6CA7CA9CA14
SCHEMBL198494 0.84 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL22166080 0.84 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL21164235 0.84 CA12 (0.42) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178828-B1 ALDIMINES AND COMPOUNDS CONTAINING ALDIMINE SIKA TECH AG (CH) 2019-06-26 EP disclosed
EP-2132248-B1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2016-07-13 EP disclosed
US-8519038-B2 Aldimines and compositions comprising aldimine SIKA TECHNOLOGY AG (CH) 2013-08-27 US disclosed
US-8455100-B2 Aldimines comprising hydroxyl groups, and compositions containing aldimine SIKA TECHNOLOGY AG (CH) 2013-06-04 US disclosed
US-20120220736-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE SIKA TECHNOLOGY AG (CH) 2012-08-30 US disclosed
US-8252859-B2 Aldimines and compositions comprising aldimine SIKA TECHNOLOGY AG (CH) 2012-08-28 US disclosed
US-8157950-B2 Aldimine and composition containing aldimine SIKA TECHNOLOGY AG (CH) 2012-04-17 US disclosed
US-20110253309-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2011-10-20 US disclosed
EP-2194082-B1 Aldimine and composition comprising aldimine SIKA TECHNOLOGY AG (CH) 2011-09-07 EP disclosed
EP-2200973-B1 ALDIMINES COMPRISING HYDROXYL GROUPS, AND COMPOSITIONS CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2011-07-13 EP disclosed
WO-2009080738-A1 CURABLE COMPOSITIONS HAVING LESS VOLATILIZATION SIKA TECHNOLOGY AG (CH) 2009-07-02 WO disclosed
EP-2072550-A1 Hardening compounds with reduced gas emission Sika Technology AG (CH) 2009-06-24 EP disclosed
WO-2009027511-A1 ALDIMINES COMPRISING HYDROXYL GROUPS, AND COMPOSITIONS CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2009-03-05 WO disclosed
EP-2030967-A1 Aldimines containing hydroxyl groups and compositions containing aldimine Sika Technology AG (CH) 2009-03-04 EP disclosed
WO-2009010522-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDAMINE SIKA TECHNOLOGY AG (CH) 2009-01-22 WO disclosed
EP-2017260-A1 Aldimines and compounds containing aldimine Sika Technology AG (CH) 2009-01-21 EP disclosed
EP-1975190-A1 Aldimines with reactive groups containing active hydrogen Sika Technology AG (CH) 2008-10-01 EP disclosed
EP-1934169-A1 ALDIMINES COMPRISING REACTIVE GROUPS CONTAINING ACTIVE HYDROGEN, AND USE THEREOF Sika Technology AG (CH) 2008-06-25 EP disclosed
EP-1772447-A1 Aldimines with reactive groups comprising active hydrogen, and their use Sika Technology AG (CH) 2007-04-11 EP disclosed
WO-2007036571-A1 ALDIMINES COMPRISING REACTIVE GROUPS CONTAINING ACTIVE HYDROGEN, AND USE THEREOF SIKA TECHNOLOGY AG (CH) 2007-04-05 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-20120220736-A1 ALDIMINES AND COMPOSITIONS COMPRISING ALDIMINE ALDOA, ALDH7A1, ALDH3A1 CA12 2380/4885CA6 3222/4885CA7 2527/4885
US-20110253309-A1 ALDIMINE AND COMPOSITION CONTAINING ALDIMINE ALDH7A1, ALDH3A1, ADH5 CA12 1993/4885CA6 2190/4885CA7 1236/4885

“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.