SCHEMBL2010531

SCHEMBL2010531

COCCOCCOCCC(C#N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MMP13 P45452 1/20 0.30

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
SCHEMBL2014399 1.00 NOS3 (0.32) NOS3NOS1NOS2MMP13
SCHEMBL7599769 0.89 ALDH1A1 (0.33)
SCHEMBL26908707 0.84 CHRM1 (0.34) NOS3NOS1NOS2
SCHEMBL4364919 0.81 ALDH1A1 (0.38) NOS3NOS1NOS2
SCHEMBL23375212 0.78 MAPT (0.46)
SCHEMBL23375216 0.78 MAPT (0.46)
SCHEMBL29516300 0.78 KDM4E (0.31)
SCHEMBL839886 0.77 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL9800586 0.77 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL27598129 0.76 KDM4E (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170315137-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-02 US disclosed
US-9551722-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-24 US disclosed
US-20150177262-A1 AMYLOID BINDING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-25 US disclosed
EP-2509940-B1 AMYLOID BINDING AGENTS UNIV CALIFORNIA (US) 2015-06-10 EP disclosed
US-8940918-B2 Amyloid binding agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-27 US disclosed
EP-2509940-A2 AMYLOID BINDING AGENTS The Regents of the University of California (US) 2012-10-17 EP disclosed
WO-2011072257-A2 AMYLOID BINDING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 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 (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-20170315137-A1 AMYLOID BINDING AGENTS APBA1, APP, PSEN1 NOS3 4190/4885NOS1 4178/4885NOS2 4438/4885

“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.