SCHEMBL23995941

SCHEMBL23995941

COC(=O)CC(C)CN(Cc1ccc(OC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ CACNA1B Q00975 2/20 0.40
▸ NR1D1 P20393 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ PTGES O14684 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL29765190 1.00 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2CACNA1B
SCHEMBL20471960 0.89 TSHR (0.44) HDAC3HDAC1HDAC2NCOR2ALDH1A1
SCHEMBL29765192 0.85 TSHR (0.40) HDAC3HDAC1HDAC2NCOR2CACNA1B
SCHEMBL24610200 0.85 TSHR (0.40) HDAC3HDAC1HDAC2NCOR2CACNA1B
SCHEMBL29765069 0.84 ALDH1A1 (0.43) HDAC3HDAC1HDAC2NCOR2NR1D1
SCHEMBL24610141 0.84 ALDH1A1 (0.43) HDAC3HDAC1HDAC2NCOR2NR1D1
SCHEMBL25609123 0.80 NR1D1 (0.43) CACNA1BNR1D1ALDH1A1MMP1TDP1
SCHEMBL2209882 0.77 TSHR (0.40) HDAC3HDAC1HDAC2NCOR2CACNA1B
SCHEMBL23995970 0.76 ALDH1A1 (0.45) HDAC3HDAC1HDAC2NCOR2NR1D1
SCHEMBL13547362 0.76 SSTR4 (0.49) HDAC3HDAC1HDAC2NCOR2NR1D1

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
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

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 HDAC3 2250/4885HDAC1 1179/4885HDAC2 2661/4885

“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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