SCHEMBL5398018

SCHEMBL5398018

C=Cc1c(C#N)c(C=C)c(C#N)c(C=C)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL31290787 0.93 ALDH1A1 (0.33) ALDH1A1TSHRMEN1TP53CYP3A4
SCHEMBL23652675 0.81 KDM4E (0.34) ALDH1A1ALOX15HSD17B10MEN1MAPT
SCHEMBL23652654 0.77 HPGD (0.36) ALDH1A1ALOX15HSD17B10MEN1MAPT
SCHEMBL28073141 0.75
SCHEMBL24199124 0.75
SCHEMBL23664988 0.75
SCHEMBL21251386 0.72
SCHEMBL21251401 0.71 GAA (0.33) SMN1; SMN2
SCHEMBL8458204 0.71 ESR1 (0.33) ALDH1A1TSHRALOX15HSD17B10MEN1
SCHEMBL57168 0.64 ALDH1A1 (0.47) ALDH1A1MEN1TP53CYP3A4MAPT

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 12 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-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
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
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 1357/4885TSHR 1557/4885ALOX15 702/4885

“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.