SCHEMBL21361249

SCHEMBL21361249

Cc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)C(C)(C)C)CC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 9/20 0.38
HDAC1 Q13547 4/20 0.38
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PDK2 Q15119 3/20 0.33
SSTR5 P35346 1/20 0.33
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL21361273 0.92 HDAC2 (0.37) HDAC2HDAC1EPHX2ALDH1A1
SCHEMBL24120384 0.89 HDAC2 (0.37) HDAC2HDAC1ALDH1A1HTTDRD2
SCHEMBL21361289 0.88 HDAC2 (0.42) HDAC2HDAC1ALDH1A1CYP3A4
SCHEMBL21361252 0.87 HDAC2 (0.41) HDAC2HDAC1ALDH1A1
SCHEMBL21361255 0.87 HDAC2 (0.42) HDAC2HDAC1ALDH1A1
SCHEMBL21361282 0.87 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL21361222 0.86 SPR (0.35) HDAC2HDAC1EPHX2ALDH1A1HTT
SCHEMBL21361248 0.85 HDAC2 (0.37) HDAC2HDAC1SSTR5DPP4DPP8
SCHEMBL21361254 0.85 RORC (0.40) HDAC2HDAC1ALDH1A1
SCHEMBL26035134 0.85 HDAC2 (0.44) HDAC2HDAC1ALDH1A1

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 845/4885EPHX2 196/4885

“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.