SCHEMBL12562500

SCHEMBL12562500

CN(C1=NCCCN1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
NISCH Q9Y2I1 4/20 0.39
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTR1D P28221 2/20 0.36
HTR1B P28222 1/20 0.36
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ADRA1A P35348 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
SCHEMBL3281643 0.78
SCHEMBL8144755 0.71 NOS3 (0.40) NOS3NOS1NOS2NISCHGAA
SCHEMBL18651774 0.71 NOS3 (0.40) NOS3NOS1NOS2NISCHGAA
SCHEMBL6880931 0.69 NOS3 (0.39) NOS3NOS1NOS2NISCHGAA
SCHEMBL2625319 0.67 NOS3 (0.44) NOS3NOS1NOS2NISCHGAA
SCHEMBL11708297 0.67 NOS3 (0.40) NOS3NOS1NOS2NISCHGAA
SCHEMBL3281539 0.62
SCHEMBL171997 0.62
SCHEMBL709291 0.62 NOS3 (0.40) NOS3NOS1NOS2NISCHGAA
SCHEMBL18545141 0.62 NOS3 (0.40) NOS3NOS1NOS2NISCHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185853-B2 Catalysts for polycarbonate production SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-11-30 US disclosed
US-10662211-B2 Catalysts and methods for polymer synthesis Saurdi Aramco Technologies Company (SA) 2020-05-26 US disclosed
US-10464960-B2 Salen complexes with dianionic counterions SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2019-11-05 US disclosed
US-20190193062-A1 CATALYSTS FOR POLYCARBONATE PRODUCTION ARAMCO PERFORMANCE MATERIALS LLC 2019-06-27 US disclosed
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. 2018-06-28 US disclosed
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. 2018-06-28 US disclosed
US-9951096-B2 Catalysts and methods for polymer synthesis SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-04-24 US disclosed
US-9856349-B2 Catalysts and methods for polymer synthesis SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2018-01-02 US disclosed
US-20170183447-A1 METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. 2017-06-29 US disclosed
US-20170183369-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-06-29 US disclosed
US-8951930-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2015-02-10 US disclosed
US-8946109-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2015-02-03 US disclosed
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-13 US disclosed
US-8633123-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2014-01-21 US disclosed
US-20130172524-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-07-04 US disclosed
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 US disclosed
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 US disclosed
US-20130144031-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 US disclosed
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2011-06-23 US disclosed
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2011-06-23 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 (8 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-10662211-B2 Catalysts and methods for polymer synthesis PPOX, COASY, SOD1 NOS3 842/4885NOS1 968/4885NOS2 497/4885
US-10464960-B2 Salen complexes with dianionic counterions NCLN, POLN, NCL NOS3 3907/4885NOS1 4578/4885NOS2 4303/4885
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NCLN, POLN, NCL NOS3 3907/4885NOS1 4578/4885NOS2 4303/4885
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 NOS3 842/4885NOS1 968/4885NOS2 497/4885
US-20180179242-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 NOS3 842/4885NOS1 968/4885NOS2 497/4885
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 NOS3 842/4885NOS1 968/4885NOS2 497/4885
US-20170183369-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 NOS3 842/4885NOS1 968/4885NOS2 497/4885
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 NOS3 842/4885NOS1 968/4885NOS2 497/4885

“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.