SCHEMBL21361246

SCHEMBL21361246

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.47
CYP2D6 P10635 9/20 0.47
USP2 O75604 8/20 0.47
ALDH1A1 P00352 8/20 0.47
MAPK1 P28482 4/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 6/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 6/20 0.45
CYP2C19 P33261 4/20 0.45
TSHR P16473 4/20 0.44
CYP2C9 P11712 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HIF1A Q16665 2/20 0.42
HBB P68871 1/20 0.41

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
SCHEMBL21361260 0.94 CYP2D6 (0.45) CYP3A4CYP2D6USP2ALDH1A1MAPK1
SCHEMBL24120354 0.90 HSD17B10 (0.39) CYP3A4CYP2D6USP2ALDH1A1MAPK1
SCHEMBL21361240 0.87 HSD17B10 (0.43) CYP3A4CYP2D6USP2ALDH1A1MAPK1
SCHEMBL21361289 0.86 HDAC2 (0.42) CYP3A4CYP2D6USP2ALDH1A1MAPK1
SCHEMBL21361256 0.85 GRIN2B (0.38) ALDH1A1MEN1KMT2A
SCHEMBL24120334 0.85 CYP2C19 (0.37) CYP3A4CYP2D6USP2ALDH1A1MAPK1
SCHEMBL21361284 0.84 HDAC2 (0.37) CYP2D6ALDH1A1HSD17B10CYP2C19TSHR
SCHEMBL21361248 0.83 HDAC2 (0.37)
SCHEMBL21361249 0.83 HDAC2 (0.38) CYP3A4ALDH1A1
SCHEMBL21361254 0.83 RORC (0.40) ALDH1A1MEN1KMT2A

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 CYP3A4 259/4885CYP2D6 157/4885USP2 3265/4885

“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.