SCHEMBL21361252

SCHEMBL21361252

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 14/20 0.41
HDAC1 Q13547 9/20 0.40
KIT P10721 3/20 0.35
HDAC3 O15379 3/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
ABL1 P00519 1/20 0.32
CACNA1H O95180 1/20 0.32

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
SCHEMBL21361261 0.93 HDAC2 (0.40) HDAC2HDAC1KITALDH1A1CYP2D6
SCHEMBL24120121 0.90 HDAC2 (0.40) HDAC2HDAC1KITHDAC3ALDH1A1
SCHEMBL21361255 0.89 HDAC2 (0.42) HDAC2HDAC1HDAC3ALDH1A1CYP2D6
SCHEMBL21361249 0.87 HDAC2 (0.38) HDAC2HDAC1ALDH1A1
SCHEMBL26035134 0.87 HDAC2 (0.44) HDAC2HDAC1HDAC3ALDH1A1CYP2D6
SCHEMBL21361239 0.87 ABL1 (0.33) HDAC2HDAC1KITALDH1A1CYP2D6
SCHEMBL21361289 0.84 HDAC2 (0.42) HDAC2HDAC1HDAC3ALDH1A1CYP2D6
SCHEMBL24120296 0.84 HDAC2 (0.38) HDAC2HDAC1HDAC3ABL1
SCHEMBL21361282 0.83 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL22859729 0.82 HDAC2 (0.41) HDAC2HDAC1CYP2D6

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 845/4885KIT 4702/4885

“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.