SCHEMBL9752430

SCHEMBL9752430

N#CCCCCNCCCCC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GBA1 P04062 1/20 0.38
CYP1A2 P05177 3/20 0.38
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
F13A1 P00488 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP2C19 P33261 2/20 0.38
THPO P40225 2/20 0.38
MEN1 O00255 1/20 0.38
CASP2 P42575 1/20 0.38

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
SCHEMBL7940472 1.00 TSHR (0.43) TSHRALDH1A1TDP1GBA1CYP1A2
SCHEMBL13016325 0.97 GBA1 (0.41) TSHRALDH1A1TDP1GBA1CYP1A2
SCHEMBL3457117 0.97 GBA1 (0.41) TSHRALDH1A1TDP1GBA1CYP1A2
Ammonia Solution, Strong SCHEMBL10961064 0.94 GBA1 (0.40) TSHRALDH1A1TDP1GBA1CYP1A2
SCHEMBL1707503 0.90 TSHR (0.45) TSHRALDH1A1TDP1GBA1CYP1A2
SCHEMBL11140684 0.88 TSHR (0.43) TSHRALDH1A1TDP1GBA1CYP1A2
SCHEMBL11139184 0.88 TSHR (0.43) TSHRALDH1A1TDP1GBA1CYP1A2
SCHEMBL1273487 0.88 ALDH1A1 (0.41) TSHRALDH1A1TDP1CYP1A2CA12
SCHEMBL24638059 0.87 TSHR (0.52) TSHRALDH1A1GBA1CYP1A2CYP2C19
SCHEMBL10744903 0.87 TSHR (0.62) TSHRALDH1A1CYP1A2CYP2C19

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 10 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
US-8580921-B2 Protein nanorings UNIVERSITY OF MINNESOTA (US) 2013-11-12 US disclosed
US-20130059359-A1 Protein Nanorings UNIVERSITY OF MINNESOTA (US) 2013-03-07 US disclosed
US-8236925-B1 Protein nanorings UNIVERSITY OF MINNESOTA (US) 2012-08-07 US disclosed
WO-1991010641-A1 A PROCESS FOR THE PREPARATION OF AMINES BEROL NOBEL AB (SE) 1991-07-25 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 4133/4885ALDH1A1 3668/4885TDP1 359/4885
US-20250333375-A1 CYANOCARBON COMPOSITIONS CYCS, CBR3, PCCA TSHR 4133/4885ALDH1A1 3668/4885TDP1 359/4885
US-20210155579-A1 CYANOCARBON COMPOSITIONS CYCS, CBR3, PCCA TSHR 4133/4885ALDH1A1 3668/4885TDP1 359/4885

“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.