SCHEMBL21361268

SCHEMBL21361268

COc1cc(-c2ccc(F)cc2)cc(C)c1C1C(=O)CC2(CCN(C(=O)c3ccncn3)CC2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 7/20 0.47
KCNH2 Q12809 7/20 0.47
TP53 P04637 1/20 0.37
CYP3A4 P08684 4/20 0.37
TRPC6 Q9Y210 4/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP2D6 P10635 3/20 0.35
MAPK7 Q13164 1/20 0.35
NAMPT P43490 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
SCHEMBL21361259 0.89 CCR8 (0.47) CCR8KCNH2TP53CYP3A4MAPT
SCHEMBL21361303 0.84 CYP2D6 (0.41) CYP2D6
SCHEMBL21361271 0.83 CYP2D6 (0.46) TP53CYP3A4CYP2D6
SCHEMBL21361306 0.82 GAA (0.44) CCR8KCNH2CYP3A4CYP2D6
SCHEMBL21361258 0.81 HDAC2 (0.35) MAPTCYP2D6
SCHEMBL21361273 0.81 HDAC2 (0.37) MAPTCYP2D6
SCHEMBL21361272 0.81 ALDH1A1 (0.38)
SCHEMBL24120432 0.81 RBP4 (0.41) CCR8KCNH2TP53TRPC6MAPT
SCHEMBL21361260 0.81 CYP2D6 (0.45) TP53CYP3A4CYP2D6
SCHEMBL21361274 0.81 HDAC2 (0.34) KCNH2CYP2D6

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 CCR8 3176/4885KCNH2 727/4885TP53 3453/4885

“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.