SCHEMBL21361261

SCHEMBL21361261

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 10/20 0.40
HDAC1 Q13547 5/20 0.38
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KIT P10721 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21361252 0.93 HDAC2 (0.41) HDAC2HDAC1CYP2D6KITALDH1A1
SCHEMBL24120296 0.91 HDAC2 (0.38) HDAC2HDAC1CNR1CNR2
SCHEMBL22859729 0.90 HDAC2 (0.41) HDAC2HDAC1CNR1CNR2CYP1A2
SCHEMBL21361273 0.89 HDAC2 (0.37) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361303 0.86 CYP2D6 (0.41) HDAC2HDAC1CNR1CNR2CYP1A2
SCHEMBL24120121 0.84 HDAC2 (0.40) HDAC2HDAC1CNR1CNR2KIT
SCHEMBL21361284 0.83 HDAC2 (0.37) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361272 0.83 ALDH1A1 (0.38) HDAC2HDAC1CNR1CNR2ALDH1A1
SCHEMBL21361258 0.83 HDAC2 (0.35) HDAC2HDAC1CNR1CNR2CYP2D6
SCHEMBL21361260 0.82 CYP2D6 (0.45) CYP1A2CYP2D6CYP2C19USP2ALDH1A1

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.