SCHEMBL16008426

SCHEMBL16008426

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HTT P42858 3/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ TSPO P30536 2/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ F2RL1 P55085 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL2876660 0.92 TSHR (0.50) TSHRUSP2ALDH1A1NPSR1HTT
SCHEMBL14861373 0.86 TDP1 (0.48) TSHRALDH1A1NPSR1HDAC1HDAC6
SCHEMBL24851932 0.81 ALDH1A1 (0.44) TSHRALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL14865856 0.81 ALDH1A1 (0.48) TSHRUSP2ALDH1A1NPSR1HTT
SCHEMBL207543 0.81 TSHR (0.53) TSHRUSP2ALDH1A1NPSR1HTT
SCHEMBL23857640 0.80 MEP1B (0.58) ALDH1A1NPSR1HTTALOX5SMN1; SMN2
SCHEMBL18646559 0.77 TSHR (0.62) TSHRUSP2ALDH1A1NPSR1HTT
SCHEMBL211062 0.76 TSHR (0.51) TSHRUSP2ALDH1A1NPSR1HTT
SCHEMBL6121816 0.76 TSHR (0.73) TSHRUSP2ALDH1A1NPSR1HTT
SCHEMBL14252330 0.76 ALDH1A1 (0.48) TSHRUSP2ALDH1A1NPSR1HTT

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
CN-105164127-A Bromodomain inhibitors ABBVIE INC 2015-12-16 — — CN disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 — — US disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 — — 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-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 TSHR 2559/4885USP2 1523/4885ALDH1A1 1453/4885

“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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