SCHEMBL21361255

SCHEMBL21361255

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.42
HDAC1 Q13547 7/20 0.41
CSNK1E P49674 3/20 0.39
CSNK1D P48730 1/20 0.39
RORC P51449 2/20 0.37
HDAC3 O15379 2/20 0.35
TACR1 P25103 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL22859729 0.93 HDAC2 (0.41) HDAC2HDAC1CSNK1ECSNK1DRORC
SCHEMBL24120140 0.90 HDAC2 (0.41) HDAC2HDAC1CSNK1ECSNK1DRORC
SCHEMBL26035134 0.89 HDAC2 (0.44) HDAC2HDAC1HDAC3ALDH1A1CYP2D6
SCHEMBL21361252 0.89 HDAC2 (0.41) HDAC2HDAC1HDAC3ALDH1A1CYP2D6
SCHEMBL21361249 0.87 HDAC2 (0.38) HDAC2HDAC1ALDH1A1
SCHEMBL21361253 0.87 SPR (0.36) HDAC2HDAC1CSNK1ECSNK1D
SCHEMBL21361289 0.86 HDAC2 (0.42) HDAC2HDAC1HDAC3ALDH1A1CYP2D6
SCHEMBL21361282 0.84 HDAC2 (0.53) HDAC2HDAC1
SCHEMBL24120147 0.83 HDAC2 (0.39) HDAC2HDAC1CSNK1ECSNK1DRORC
SCHEMBL21361248 0.83 HDAC2 (0.37) HDAC2HDAC1

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 845/4885CSNK1E 3072/4885

“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.