SCHEMBL21361215

SCHEMBL21361215

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
CYP1A1 P04798 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1B1 Q16678 2/20 0.34
HTR2C P28335 2/20 0.34
TNKS O95271 1/20 0.34
ABCB1 P08183 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HCRTR2 O43614 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 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
SCHEMBL21361220 0.94 CNR1 (0.37) PDE4BSMN1; SMN2PTGS2PTGS1CYP1A1
SCHEMBL21361217 0.89 CNR1 (0.38) PTGS2PTGS1CNR1CNR2HCRTR2
SCHEMBL21361300 0.86 CYP2D6 (0.43) SMN1; SMN2CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL21361218 0.84 ACACB (0.34) PDE4BGRIN1GRIN2B
SCHEMBL26035216 0.81 CNR1 (0.32) PDE4BSMN1; SMN2PTGS2PTGS1CYP1A1
SCHEMBL21361303 0.80 CYP2D6 (0.41) SMN1; SMN2CYP1A2ALDH1A1CNR1CNR2
SCHEMBL21361272 0.80 ALDH1A1 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ACNR1
SCHEMBL21361264 0.79 SLC6A9 (0.35) SMN1; SMN2PTGS2PTGS1MEN1ALDH1A1
SCHEMBL26035158 0.79 PDE4B (0.33) PDE4BSMN1; SMN2PTGS2PTGS1CYP1A1
SCHEMBL21361288 0.78 P2RX7 (0.33) KITGRIN1GRIN2B

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 PDE4B 1730/4885SMN1; SMN2 4607/4885PTGS2 1506/4885

“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.