SCHEMBL21361269

SCHEMBL21361269

COc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)C3COC3)CC2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.44
CHRM1 P11229 6/20 0.44
CHRM2 P08172 2/20 0.44
CHRM5 P08912 1/20 0.44
HDAC2 Q92769 6/20 0.38
HDAC1 Q13547 4/20 0.38
MGLL Q99685 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CREBBP Q92793 1/20 0.35
HDAC3 O15379 1/20 0.34
GRIN2B Q13224 1/20 0.34
ROCK2 O75116 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
SCHEMBL21361272 0.92 ALDH1A1 (0.38) CHRM4CHRM1CHRM2CHRM5HDAC2
SCHEMBL21361303 0.87 CYP2D6 (0.41) HDAC2HDAC1ALDH1A1HDAC3ROCK2
SCHEMBL21361258 0.85 HDAC2 (0.35) HDAC2HDAC1MEN1ALDH1A1MAPT
SCHEMBL21361273 0.85 HDAC2 (0.37) HDAC2HDAC1MEN1ALDH1A1MAPT
SCHEMBL21361254 0.84 RORC (0.40) HDAC2HDAC1MEN1ALDH1A1KMT2A
SCHEMBL21361260 0.84 CYP2D6 (0.45) MEN1ALDH1A1KMT2A
SCHEMBL21361274 0.84 HDAC2 (0.34) HDAC2HDAC1ALDH1A1
SCHEMBL21361284 0.83 HDAC2 (0.37) HDAC2HDAC1ALDH1A1GRIN2B
SCHEMBL21361271 0.83 CYP2D6 (0.46) MEN1ALDH1A1KMT2A
SCHEMBL24120294 0.83 CHRM4 (0.40) CHRM4CHRM1CHRM2CHRM5HDAC2

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 CHRM4 1003/4885CHRM1 416/4885CHRM2 347/4885

“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.