SCHEMBL21361258

SCHEMBL21361258

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.35
HDAC1 Q13547 3/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CYP2D6 P10635 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ABCB1 P08183 1/20 0.33
GPR183 P32249 2/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CREBBP Q92793 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
SCHEMBL21361248 0.92 HDAC2 (0.37) HDAC2HDAC1DPP4DPP7
SCHEMBL21361274 0.92 HDAC2 (0.34) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL24120396 0.91 ROCK2 (0.36) HDAC2HDAC1CNR1CNR2ALDH1A1
SCHEMBL21361303 0.90 CYP2D6 (0.41) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361273 0.87 HDAC2 (0.37) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361272 0.87 ALDH1A1 (0.38) HDAC2HDAC1CNR1CNR2ALDH1A1
SCHEMBL21361260 0.86 CYP2D6 (0.45) CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL21361284 0.85 HDAC2 (0.37) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361271 0.85 CYP2D6 (0.46) CYP2D6ALDH1A1GPR183MEN1KMT2A
SCHEMBL22859729 0.85 HDAC2 (0.41) HDAC2HDAC1CNR1CNR2CYP2D6

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.