SCHEMBL5856841

SCHEMBL5856841

CC(C)OC(=O)C(C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HCAR2 Q8TDS4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CA12 O43570 7/20 0.34
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA9 Q16790 7/20 0.34
CA7 P43166 4/20 0.34
CA14 Q9ULX7 4/20 0.34
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL11764621 0.97 TSHR (0.46) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL5728799 0.94 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL15015930 0.85 TSHR (0.40) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL17124707 0.85 TSHR (0.40) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL20204485 0.83 TSHR (0.39) TSHRHCAR2SMN1; SMN2
SCHEMBL6063743 0.77 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL682227 0.77 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL5077477 0.77 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL9999821 0.77 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL295903 0.75

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116559157-A Preparation method and application of indicator replacement sensing array for tea polyphenol identification 浙江工业大学 2023-08-08 CN claimed
CN-116559157-A Preparation method and application of indicator replacement sensing array for tea polyphenol identification 浙江工业大学 2023-08-08 CN disclosed
CN-115916732-A Process for preparing dienes 弗门尼舍有限公司 2023-04-04 CN disclosed
US-7083812-B2 Chemical library preparation method from natural product PEPTRON, INC. (KR) 2006-08-01 US disclosed
US-20030133997-A1 Chemical library preparation method from natural product PEPTRON, INC. (KR) 2003-07-17 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-20030133997-A1 Chemical library preparation method from natural product LSS, ERG28, PMAIP1 TSHR 4272/4885HCAR2 3294/4885SMN1; SMN2 3608/4885

“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.