SCHEMBL21361289

SCHEMBL21361289

CC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(-c3ccc(F)cc3)cc1C)C(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC3 O15379 3/20 0.42
USP2 O75604 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX12 P18054 1/20 0.41
CYP2D6 P10635 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 2/20 0.37

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
SCHEMBL21361303 0.92 CYP2D6 (0.41) HDAC2HDAC1HDAC3USP2ALDH1A1
SCHEMBL22859738 0.89 ALDH1A1 (0.41) USP2ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL23748414 0.89 HDAC2 (0.48) HDAC2HDAC1HDAC3ABCG2ROCK2
SCHEMBL21361254 0.88 RORC (0.40) HDAC2HDAC1HDAC3ALDH1A1MEN1
SCHEMBL21361248 0.88 HDAC2 (0.37) HDAC2HDAC1
SCHEMBL21361249 0.88 HDAC2 (0.38) HDAC2HDAC1ALDH1A1CYP3A4
SCHEMBL26035134 0.88 HDAC2 (0.44) HDAC2HDAC1HDAC3ALDH1A1CYP1A2
SCHEMBL21361300 0.87 CYP2D6 (0.43) HDAC2HDAC1HDAC3USP2ALDH1A1
SCHEMBL21361308 0.86 USP2 (0.48) USP2ALDH1A1CYP1A2HSD17B10HPGD
SCHEMBL21361255 0.86 HDAC2 (0.42) HDAC2HDAC1HDAC3ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 HDAC2 964/4885HDAC1 845/4885HDAC3 578/4885

“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.