SCHEMBL22487899

SCHEMBL22487899

COC(=O)COc1ncccc1Oc1cc(SC#N)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SCN9A Q15858 2/20 0.36
MAPT P10636 1/20 0.36
CARM1 Q86X55 3/20 0.36
PRMT6 Q96LA8 2/20 0.36
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RY1 P47900 1/20 0.34
AR P10275 1/20 0.34
S1PR1 P21453 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
SCHEMBL21034418 0.84 MAPK8 (0.44) MAPK8LMNAHTR1ADRD2ADRA1A
SCHEMBL3250748 0.83 MAPK8 (0.43) MAPK8LMNAHTR1ADRD2ADRA1A
SCHEMBL22488063 0.83 MAPK8 (0.43) MAPK8LMNAHTR1ADRD2ADRA1A
SCHEMBL21035048 0.81 MAPK8 (0.40) MAPK8LMNAHTR1ADRD2ADRA1A
SCHEMBL6639473 0.81 MAPK8 (0.40) MAPK8LMNAHTR1ADRD2ADRA1A
SCHEMBL3955026 0.80 ATM (0.42) MAPK8LMNAHTR1ADRD2ADRA1A
SCHEMBL21034914 0.80 MEN1 (0.43) MAPK8LMNAPOLBMAPTGAA
SCHEMBL21034417 0.80 LMNA (0.46) MAPK8LMNASCN9AMAPTCARM1
SCHEMBL21034409 0.77 LMNA (0.48) MAPK8LMNAMAPTGAASMN1; SMN2
SCHEMBL6664397 0.77 LMNA (0.42) MAPK8LMNAHTR1ADRD2ADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230345941-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2023-11-02 US disclosed
US-20200305429-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2020-10-01 US 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 (2 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-20200305429-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 MAPK8 4030/4885LMNA 3721/4885HTR1A 2132/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 MAPK8 4030/4885LMNA 3721/4885HTR1A 2132/4885

“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.