SCHEMBL21361284

SCHEMBL21361284

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.37
HDAC1 Q13547 2/20 0.37
GRIN2B Q13224 4/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CYP2D6 P10635 4/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GRIN1 Q05586 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL24120390 0.91 HDAC1 (0.37) HDAC2HDAC1CNR1CNR2
SCHEMBL21361260 0.90 CYP2D6 (0.45) CYP2D6ALDH1A1TSHRCYP2C19HSD17B10
SCHEMBL21361303 0.90 CYP2D6 (0.41) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361267 0.88 CCNT1 (0.39) HDAC2HDAC1GRIN2BCYP2D6KDM1A
SCHEMBL21361258 0.85 HDAC2 (0.35) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361273 0.85 HDAC2 (0.37) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361272 0.85 ALDH1A1 (0.38) HDAC2HDAC1CNR1CNR2ALDH1A1
SCHEMBL22859729 0.85 HDAC2 (0.41) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361274 0.85 HDAC2 (0.34) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361246 0.84 CYP3A4 (0.47) CYP2D6ALDH1A1TSHRCYP2C19HSD17B10

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 845/4885GRIN2B 2515/4885

“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.