SCHEMBL22487912

SCHEMBL22487912

COC(=O)COc1ncccc1Oc1cc(N/N=C2/CCCCN2)c(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ROCK2 O75116 11/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL21001394 0.93 GAA (0.35) LMNAROCK2ALDH1A1KDM4EHPGD
SCHEMBL21034852 0.79 LMNA (0.46) LMNAROCK2ALDH1A1KDM4ETSHR
SCHEMBL21034409 0.75 LMNA (0.48) LMNAROCK2KDM4ETHRBGAA
SCHEMBL22488090 0.73 ALDH1A1 (0.36) ROCK2ALDH1A1KDM4EHPGDGPBAR1
SCHEMBL3955026 0.72 ATM (0.42) LMNAALDH1A1KDM4ETHRBMAPK8
SCHEMBL21034417 0.71 LMNA (0.46) LMNAALDH1A1MAPK8
SCHEMBL21034418 0.71 MAPK8 (0.44) LMNAROCK2KDM4ETSHRTHRB
SCHEMBL22488065 0.71 THRB (0.40) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL21035048 0.70 MAPK8 (0.40) LMNAALDH1A1KDM4ETHRBMAPK8
SCHEMBL22488063 0.70 MAPK8 (0.43) LMNAALDH1A1THRBMAPK8

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 LMNA 3721/4885ROCK2 4242/4885ALDH1A1 35/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 LMNA 3721/4885ROCK2 4242/4885ALDH1A1 35/4885

“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.