SCHEMBL5409730

SCHEMBL5409730

CC1(C#N)CC(C)(C#N)CC(C)(C#N)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL24817747 0.81
SCHEMBL17621499 0.81
SCHEMBL15604505 0.81
SCHEMBL24590758 0.81
SCHEMBL18179218 0.78
SCHEMBL459723 0.77
SCHEMBL26361829 0.76
SCHEMBL15604508 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21504145 0.73 FFAR3 (0.46)
SCHEMBL25860052 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7311860-B2 1,3,5-tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same KOREA UNIVERSITY FOUNDATION (KR) 2007-12-25 US claimed
US-20040251452-A1 1,3,5-Tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same SFC CO., LTD. (KR) 2004-12-16 US claimed
WO-2003011817-A1 1, 3, 5-TRICYANO-2, 4, 6-TRIS(VINYL)BENZENE DERIVATIVES AND METHOD FOR PREPARING THE SAME KOREA UNIVERSITY FOUNDATION (KR) 2003-02-13 WO claimed
US-7311860-B2 1,3,5-tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same KOREA UNIVERSITY FOUNDATION (KR) 2007-12-25 US disclosed
US-7311860-B2 1,3,5-tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same KOREA UNIVERSITY FOUNDATION (KR) 2007-12-25 US disclosed
US-20040251452-A1 1,3,5-Tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same SFC CO., LTD. (KR) 2004-12-16 US disclosed
US-20040251452-A1 1,3,5-Tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same SFC CO., LTD. (KR) 2004-12-16 US disclosed
WO-2003011817-A1 1, 3, 5-TRICYANO-2, 4, 6-TRIS(VINYL)BENZENE DERIVATIVES AND METHOD FOR PREPARING THE SAME KOREA UNIVERSITY FOUNDATION (KR) 2003-02-13 WO disclosed
WO-2003011817-A1 1, 3, 5-TRICYANO-2, 4, 6-TRIS(VINYL)BENZENE DERIVATIVES AND METHOD FOR PREPARING THE SAME KOREA UNIVERSITY FOUNDATION (KR) 2003-02-13 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-20040251452-A1 1,3,5-Tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same TDO2, TRPV6, TRPC6 ALDH1A1 1357/4885

“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.