SCHEMBL20471952

SCHEMBL20471952

COc1ccc(CN(CC(C)CCO)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ USP2 O75604 1/20 0.46
▸ LDHA P00338 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL29765192 0.85 TSHR (0.40) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL24610200 0.85 TSHR (0.40) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL20472046 0.82 ALDH1A1 (0.52) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL3484433 0.80 TDP1 (0.60) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL3614141 0.79 TDP1 (0.54) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL13103670 0.74 ALDH1A1 (0.47) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL26025186 0.74 ALDH1A1 (0.52) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL6321716 0.74 TAS2R14 (0.61) TSHRALDH1A1PTGESLMNATAS2R14
SCHEMBL25132132 0.73 TSHR (0.53) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL20472128 0.73 TDP1 (0.54) TSHRALDH1A1NPSR1MEN1KMT2A

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-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 — — EP disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 — — US disclosed
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 — — 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-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 TSHR 3906/4885ALDH1A1 2232/4885NPSR1 4025/4885

“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.

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