SCHEMBL5414435

SCHEMBL5414435

CCOP(=O)(Cc1c(C#N)c(CP(=O)(OCC)OCC)c(C#N)c(CP(=O)(OCC)OCC)c1C#N)OCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ACHE P22303 1/20 0.38
PPARD Q03181 1/20 0.38
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.30
KMT2A Q03164 1/20 0.30
EGFR P00533 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
SCHEMBL4631819 0.76 TSHR (0.43) TSHRACHEPPARDMAPTHTT
SCHEMBL15367919 0.74 TSHR (0.50) TSHRPPARDMAPTHTTTP53
SCHEMBL10041879 0.72 TSHR (0.48) TSHRPPARDMAPTHTTTP53
SCHEMBL6311761 0.72 TSHR (0.48) TSHRPPARDMAPTHTTTP53
SCHEMBL5411879 0.72 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL8611627 0.72 TSHR (0.39) TSHRMAPTL3MBTL1LMNAALDH1A1
SCHEMBL517580 0.71 TSHR (0.46) TSHRPPARDMAPTHTTTP53
SCHEMBL10013495 0.71 TSHR (0.46) TSHRPPARDMAPTHTTTP53
SCHEMBL13421215 0.71 TSHR (0.46) TSHRPPARDMAPTHTTTP53
SCHEMBL4633658 0.71 TSHR (0.41) TSHRACHEPPARDMAPTTP53

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 6 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 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 TSHR 1557/4885ACHE 2367/4885PPARD 2206/4885

“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.