SCHEMBL2172367

SCHEMBL2172367

C[Si](C)([O])CCCNCCN

nearest known ligand 0.50

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
CA3 P07451 3/20 0.50
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 3/20 0.46
CA1 P00915 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5577158 0.80 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL2866750 0.79 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL1270857 0.78 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL12191358 0.77 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL12191368 0.77 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL302703 0.76
SCHEMBL1445789 0.76 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL3799060 0.76 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL3270058 0.76 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL28731833 0.76 CA12 (0.50) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3349888-A1 PROCESS FOR CONTINUOUS PRODUCTION OF STABLE SILICONE EMULSIONS Wacker Chemie AG (DE) 2018-07-25 EP disclosed
WO-2017046017-A1 PROCESS FOR CONTINUOUS PRODUCTION OF STABLE SILICONE EMULSIONS WACKER CHEMIE AG (DE) 2017-03-23 WO disclosed
US-8304568-B2 Organopolysiloxanes having polyhydroxyamido groups and preparation thereof WACKER CHEMIE AG (DE) 2012-11-06 US disclosed
EP-2176320-B1 ORGANOPOLYSILOXANES HAVING POLYHYDROXYAMIDO GROUPS AND PREPARATION THEREOF WACKER CHEMIE AG (DE) 2011-09-14 EP disclosed
US-20110190525-A1 ORGANOPOLYSILOXANES HAVING POLYHYDROXYAMIDO GROUPS AND PREPARATION THEREOF WACKER CHEMIE AG (DE) 2011-08-04 US disclosed
US-7973120-B2 Enamine oils and method for the production thereof WACKER CHEMIE AG (DE) 2011-07-05 US disclosed
EP-2176320-A1 ORGANOPOLYSILOXANES HAVING POLYHYDROXYAMIDO GROUPS AND PREPARATION THEREOF Wacker Chemie AG (DE) 2010-04-21 EP disclosed
US-20100081837-A1 PROCESS FOR PRODUCTION OF POWDER OF CAGE SILSESQUIOXANE COMPOUND ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-04-01 US disclosed
US-7511110-B2 Crosslinkable polyorganosiloxane compositions WACKER CHEMIE AG (DE) 2009-03-31 US disclosed
WO-2009019144-A1 ORGANOPOLYSILOXANES HAVING POLYHYDROXYAMIDO GROUPS AND PREPARATION THEREOF WACKER CHEMIE AG (DE) 2009-02-12 WO disclosed
US-20080312398-A1 Enamine Oils and Method for The Production Thereof WACKER CHEMIE AG (DE) 2008-12-18 US disclosed
US-7122591-B2 Polyphenylene ether-based resin composition containing silicon compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2006-10-17 US disclosed
US-20060135689-A1 Crosslinkable polyorganosiloxane compositions WACKER CHEMIE GMBH (DE) 2006-06-22 US disclosed
US-20040138355-A1 Polyphentlene ether resin composition containing silicon compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2004-07-15 US 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 (1 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-20100081837-A1 PROCESS FOR PRODUCTION OF POWDER OF CAGE SILSESQUIOXANE COMPOUND DCPS, SFXN1, SMOX CA12 816/4885CA6 1629/4885CA7 1032/4885

“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.