SCHEMBL22980647

SCHEMBL22980647

N#CCCCCCC(C#N)C(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GBA1 P04062 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
SCHEMBL23388975 1.00 TSHR (0.36) TSHRMAPTALDH1A1TDP1GBA1
SCHEMBL23388988 1.00 TSHR (0.36) TSHRMAPTALDH1A1TDP1GBA1
SCHEMBL23388956 1.00 TSHR (0.36) TSHRMAPTALDH1A1TDP1GBA1
SCHEMBL2566684 0.98 TSHR (0.37) TSHRMAPTALDH1A1TDP1
SCHEMBL23388981 0.90 TSHR (0.39) TSHRMAPTALDH1A1TDP1
SCHEMBL18116793 0.76 TSHR (0.41) TSHRMAPTALDH1A1TDP1
SCHEMBL17935685 0.74 TSHR (0.42) TSHRMAPTALDH1A1TDP1
SCHEMBL17935752 0.74 TSHR (0.42) TSHRMAPTALDH1A1TDP1
SCHEMBL1003333 0.72 ALDH1A1 (0.58) TSHRMAPTALDH1A1TDP1GBA1
SCHEMBL818935 0.72 ALDH1A1 (0.58) TSHRMAPTALDH1A1TDP1GBA1

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-20250333375-A1 CYANOCARBON COMPOSITIONS ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2025-10-30 US disclosed
US-12215070-B2 Cyanocarbon compositions ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2025-02-04 US disclosed
EP-4061795-A1 COMPOSITIONS COMPRISING TRISCYANOHEXANE Ascend Performance Materials Operations LLC (US) 2022-09-28 EP disclosed
CN-114555554-A Composition comprising hexanetricarbonitrile 奥升德功能材料运营有限公司 2022-05-27 CN disclosed
WO-2021102286-A1 COMPOSITIONS COMPRISING TRISCYANOHEXANE ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2021-05-27 WO disclosed
US-20210155579-A1 CYANOCARBON COMPOSITIONS ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2021-05-27 US disclosed
WO-2021027807-A1 METHOD FOR PREPARING AZELAIC ACID 新钰生技股份有限公司 2021-02-18 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 (3 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-12215070-B2 Cyanocarbon compositions CYCS, CBR3, PCCA TSHR 4133/4885MAPT 4098/4885ALDH1A1 3668/4885
US-20250333375-A1 CYANOCARBON COMPOSITIONS CYCS, CBR3, PCCA TSHR 4133/4885MAPT 4098/4885ALDH1A1 3668/4885
US-20210155579-A1 CYANOCARBON COMPOSITIONS CYCS, CBR3, PCCA TSHR 4133/4885MAPT 4098/4885ALDH1A1 3668/4885

“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.