SCHEMBL306162

SCHEMBL306162

CC(C#N)CC(C#N)CC(C)C#N

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 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
SCHEMBL17357067 0.97 TSHR (0.42) TSHRALDH1A1
SCHEMBL19912624 0.97 TSHR (0.42) TSHRALDH1A1
SCHEMBL13036887 0.97 TSHR (0.42) TSHRALDH1A1
SCHEMBL10038490 0.97 TSHR (0.42) TSHRALDH1A1
SCHEMBL19918239 0.89 TSHR (0.37) TSHR
SCHEMBL17482142 0.87 TSHR (0.36) TSHR
SCHEMBL10050936 0.87 TSHR (0.36) TSHR
SCHEMBL820312 0.87 TSHR (0.36) TSHR
SCHEMBL14586670 0.86 TSHR (0.39) TSHR
SCHEMBL14365263 0.85 TSHR (0.34) TSHR

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
EP-1794195-B1 NITRIC OXIDE-RELEASING DIAZENIUMDIOLATED ACRYLONITRILE-BASED POLYMERS, AND COMPOSITIONS, MEDICAL DEVICES, AND USES THEREOF US GOVERNMENT (US) 2014-12-17 EP disclosed
US-8093343-B2 Nitric oxide-releasing diazeniumdiolated compounds THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-01-10 US disclosed
US-20110282060-A1 NITRIC OXIDE-RELEASING DIAZENIUMDIOLATED COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2011-11-17 US disclosed
US-7968664-B2 Nitric oxide-releasing diazeniumdiolated acrylonitrile-based polymers, and compositions, medical devices, and uses thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-06-28 US disclosed
US-20070292471-A1 Nitric Oxide-Releasing Diazeniumdiolated Acrylonitrile-Based Polymers, and Compositions, Medical Devices, and Uses Thereof THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALT (US) 2007-12-20 US disclosed
US-20070160521-A1 Use of core/shell particles MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
EP-1794195-A2 NITRIC OXIDE-RELEASING DIAZENIUMDIOLATED ACRYLONITRILE-BASED POLYMERS, AND COMPOSITIONS, MEDICAL DEVICES, AND USES THEREOF The Government of the U.S.A., as repr. by the Secretary, Dept. of Health & Human Services, the Nat. Inst. of Health (US) 2007-06-13 EP disclosed
WO-2006037105-A2 NITRIC OXIDE-RELEASING DIAZENIUMDIOLATED ACRYLONITRILE-BASED POLYMERS, AND COMPOSITIONS, MEDICAL DEVICES, AND USES THEREOF GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-04-06 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-20070292471-A1 Nitric Oxide-Releasing Diazeniumdiolated Acrylonitrile-Based Polymers, and Compositions, Medical Devices, and Uses Thereof NOS2, NOS1, NOS3 TSHR 3116/4885ALDH1A1 991/4885
US-20110282060-A1 NITRIC OXIDE-RELEASING DIAZENIUMDIOLATED COMPOUNDS NOS2, NOS1, NOS3 TSHR 2358/4885ALDH1A1 852/4885

“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.