SCHEMBL6069907

SCHEMBL6069907

CCOC(=O)C1OC1CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6069900 1.00 TSHR (0.57) TSHRATMCYP3A4CYP2C19SMN1; SMN2
SCHEMBL6069915 1.00 TSHR (0.57) TSHRATMCYP3A4CYP2C19SMN1; SMN2
SCHEMBL13699230 0.82 TSHR (0.48) TSHRATMCYP3A4CYP2C19SMN1; SMN2
SCHEMBL13699311 0.82 TSHR (0.48) TSHRATMCYP3A4CYP2C19SMN1; SMN2
SCHEMBL6069567 0.79 FASN (0.47) SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL6069576 0.79 FASN (0.47) SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL6817041 0.79 FASN (0.47) SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL4604644 0.79 FASN (0.47) SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL10028440 0.76 CYP3A4 (0.46) TSHRCYP3A4CYP2C19ALDH1A1POLB
SCHEMBL13046117 0.76 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894346-A Method for preparing aryl ketone compound and intermediate 四川奥兰多化工有限公司 2023-04-04 CN disclosed
US-7056947-B2 For inhibiting (cysteine) proteases/caspases; for treatment of viral infections, stroke, neurodegenerative disease, and inflammatory diseases GEORGIA TECH RESEARCH CORP. (US) 2006-06-06 US disclosed
US-20040048327-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-11 US disclosed
WO-2004005270-A1 AZA-PEPTIDE EPOXIDES GEORGIA TECH RESEARCH CORPORATION (US) 2004-01-15 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-20040048327-A1 Aza-peptide epoxides ANPEP, ENPEP, TMPRSS15 TSHR 4503/4885ATM 4861/4885CYP3A4 576/4885

“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.