SCHEMBL21361273

SCHEMBL21361273

COc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)C(C)(C)C)CC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.37
HDAC1 Q13547 2/20 0.37
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
EPHX2 P34913 1/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
ALDH1A1 P00352 1/20 0.33
ABCB1 P08183 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 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
SCHEMBL21361249 0.92 HDAC2 (0.38) HDAC2HDAC1EPHX2ALDH1A1
SCHEMBL24120325 0.91 CNR1 (0.35) HDAC2HDAC1CNR1CNR2SMN1; SMN2
SCHEMBL21361303 0.90 CYP2D6 (0.41) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361261 0.89 HDAC2 (0.40) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL22859729 0.88 HDAC2 (0.41) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361272 0.87 ALDH1A1 (0.38) HDAC2HDAC1CNR1CNR2SMN1; SMN2
SCHEMBL21361258 0.87 HDAC2 (0.35) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361274 0.86 HDAC2 (0.34) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361260 0.86 CYP2D6 (0.45) CYP2D6SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL21361271 0.85 CYP2D6 (0.46) CYP2D6SMN1; SMN2ALDH1A1MEN1POLB

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 845/4885CNR1 217/4885

“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.