SCHEMBL21034852

SCHEMBL21034852

COC(=O)COc1ncccc1Oc1cc(NN)c(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
MAPK8 P45983 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ROCK2 O75116 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR2 P41597 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL22488065 0.91 THRB (0.40) LMNATHRBSMN1; SMN2NPC1RAB9A
SCHEMBL21034409 0.89 LMNA (0.48) LMNATHRBSMN1; SMN2NPC1RAB9A
SCHEMBL3250748 0.84 MAPK8 (0.43) LMNAMAPTMAPK8ROCK2
SCHEMBL3955026 0.81 ATM (0.42) LMNATHRBMAPTMAPK8KMT2A
SCHEMBL21034417 0.81 LMNA (0.46) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21034418 0.80 MAPK8 (0.44) LMNATHRBMAPTMAPK8KMT2A
SCHEMBL21035048 0.80 MAPK8 (0.40) LMNATHRBNPC1RAB9AMAPT
SCHEMBL22488063 0.80 MAPK8 (0.43) LMNATHRBMAPTMAPK8ALDH1A1
SCHEMBL22487912 0.79 LMNA (0.36) LMNATHRBMAPK8KDM4EROCK2
SCHEMBL6664397 0.77 LMNA (0.42) LMNATHRBSMN1; SMN2MAPTMAPK8

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
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
WO-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 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 (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 LMNA 3721/4885THRB 3980/4885SMN1; SMN2 4361/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 LMNA 3721/4885THRB 3980/4885SMN1; SMN2 4361/4885

“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.