SCHEMBL22488065

SCHEMBL22488065

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
NLRP3 Q96P20 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK8 P45983 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 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
SCHEMBL21034852 0.91 LMNA (0.46) THRBTSHRGAAMAPTLMNA
SCHEMBL5593107 0.84 MAPK1 (0.42) THRBTSHRGAAL3MBTL1MAPT
SCHEMBL21307701 0.84 SYK (0.41) THRBTSHRMAPTNLRP3SMN1; SMN2
SCHEMBL21001301 0.84 GAA (0.40) THRBTSHRGAAL3MBTL1MAPT
SCHEMBL30704856 0.84 PPOX (0.41) THRBTSHRL3MBTL1LMNAPOLB
SCHEMBL5592842 0.84 PPOX (0.41) THRBTSHRL3MBTL1LMNAPOLB
SCHEMBL30704857 0.84 PPOX (0.41) THRBTSHRL3MBTL1LMNAPOLB
SCHEMBL21086833 0.84 P2RY1 (0.43) THRBTSHRL3MBTL1MAPTLMNA
SCHEMBL22488072 0.83 THRB (0.36) THRBTSHRGAAL3MBTL1MAPT
SCHEMBL6637969 0.82 P2RY1 (0.41) THRBTSHRL3MBTL1MAPTLMNA

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
CN-111356693-A Herbicidal phenyl ethers 巴斯夫欧洲公司 2020-06-30 CN 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 THRB 3980/4885TSHR 3222/4885GAA 282/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 THRB 3980/4885TSHR 3222/4885GAA 282/4885

“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.