SCHEMBL10196037

SCHEMBL10196037

COCCOCCOCCOCCOCCOCCON

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ODC1 P11926 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
SCHEMBL11885389 1.00 CA2 (0.41) CA2ADRB2ADRB1ADRB3ODC1
SCHEMBL3072771 1.00 CA2 (0.41) CA2ADRB2ADRB1ADRB3ODC1
SCHEMBL16438222 1.00 CA2 (0.41) CA2ADRB2ADRB1ADRB3ODC1
SCHEMBL6555701 1.00 CA2 (0.41) CA2ADRB2ADRB1ADRB3ODC1
SCHEMBL4863760 1.00
SCHEMBL317775 0.90
SCHEMBL30130365 0.88 CA2 (0.34) CA2ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL1781746 0.87
SCHEMBL28880086 0.85 CA2 (0.34) CA2
SCHEMBL23647292 0.83 CA2 (0.44) CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240590-A1 NUCLEOPHILIC CATALYSTS FOR OXIME LINKAGE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-24 US disclosed
US-9492555-B2 Nucleophilic catalysts for oxime linkage BAXALTA INCORPORATED (US) 2016-11-15 US disclosed
US-8945897-B2 Materials and methods for conjugating a water soluble fatty acid derivative to a protein BAXTER INTERNATIONAL INC. (US) 2015-02-03 US disclosed
US-20140121351-A1 NUCLEOPHILIC CATALYSTS FOR OXIME LINKAGE BAXTER HEALTHCARE SA (CH) 2014-05-01 US disclosed
US-8642737-B2 Nucleophilic catalysts for oxime linkage BAXTER INTERNATIONAL INC. (US) 2014-02-04 US disclosed
US-20130310546-A1 NUCLEOPHILIC CATALYSTS FOR OXIME LINKAGE AND USE OF NMR ANALYSES OF THE SAME BAXALTA INCORPORATED 2013-11-21 US disclosed
US-20120190096-A1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN BAXTER HEALTHCARE S.A. (CH) 2012-07-26 US disclosed
US-20120035344-A1 NUCLEOPHILIC CATALYSTS FOR OXIME LINKAGE BAXTER HEALTHCARE S.A. (CH) 2012-02-09 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 (5 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-20170240590-A1 NUCLEOPHILIC CATALYSTS FOR OXIME LINKAGE LPO, OGA, DAO CA2 509/4885ADRB2 4683/4885ADRB1 4649/4885
US-20120190096-A1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN FABP1, FABP4, FABP5 CA2 3844/4885ADRB2 4713/4885ADRB1 4693/4885
US-20120035344-A1 NUCLEOPHILIC CATALYSTS FOR OXIME LINKAGE LPO, OGA, DAO CA2 509/4885ADRB2 4683/4885ADRB1 4649/4885
US-20130310546-A1 NUCLEOPHILIC CATALYSTS FOR OXIME LINKAGE AND USE OF NMR ANALYSES OF THE SAME OGA, LPO, CA12 CA2 178/4885ADRB2 4412/4885ADRB1 4653/4885
US-20140121351-A1 NUCLEOPHILIC CATALYSTS FOR OXIME LINKAGE LPO, OGA, DAO CA2 509/4885ADRB2 4683/4885ADRB1 4649/4885

“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.