SCHEMBL21361272

SCHEMBL21361272

COc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)C3CC3)CC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
JAK2 O60674 1/20 0.38
GAA P10253 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
RORC P51449 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
NPC1 O15118 1/20 0.36
CFTR P13569 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC2 Q92769 2/20 0.36
MGLL Q99685 1/20 0.35
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL21361254 0.92 RORC (0.40) ALDH1A1RORCHDAC2HDAC1MEN1
SCHEMBL21361269 0.92 CHRM4 (0.44) ALDH1A1CHRM4CHRM1CHRM2CHRM5
SCHEMBL24120294 0.91 CHRM4 (0.40) JAK2GAACHRM4CHRM1CHRM2
SCHEMBL21361303 0.90 CYP2D6 (0.41) ALDH1A1CNR1CNR2SMN1; SMN2HDAC2
SCHEMBL21361273 0.87 HDAC2 (0.37) ALDH1A1CNR1CNR2SMN1; SMN2HDAC2
SCHEMBL21361258 0.87 HDAC2 (0.35) ALDH1A1CNR1CNR2HDAC2HDAC1
SCHEMBL21361220 0.86 CNR1 (0.37) ALDH1A1CNR1CNR2SMN1; SMN2MEN1
SCHEMBL21361274 0.86 HDAC2 (0.34) ALDH1A1CNR1CNR2HDAC2HDAC1
SCHEMBL21361260 0.86 CYP2D6 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21361271 0.85 CYP2D6 (0.46) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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 ALDH1A1 26/4885JAK2 3641/4885GAA 1142/4885

“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.