SCHEMBL805227

SCHEMBL805227

CCCCOCC(NC(=O)c1coc(C(NC(=O)OC(C)(C)C)C(C)C)n1)c1nc(C(=O)OC)co1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.46
LMNA P02545 3/20 0.42
ABCB1 P08183 5/20 0.41
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TSHR P16473 4/20 0.34
CTSK P43235 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL805226 0.89 C3AR1 (0.43) C3AR1LMNAALDH1A1L3MBTL1HSD17B10
SCHEMBL800930 0.86 C3AR1 (0.47) C3AR1LMNAABCB1ALDH1A1HSD17B10
SCHEMBL800932 0.85 PPARA (0.44) C3AR1LMNAABCB1TSHRMEN1
SCHEMBL800482 0.82 C3AR1 (0.46) C3AR1LMNAABCB1ALDH1A1HSD17B10
SCHEMBL800915 0.77 C3AR1 (0.46) C3AR1LMNAABCB1ALDH1A1L3MBTL1
SCHEMBL800750 0.77 C3AR1 (0.46) C3AR1LMNAABCB1ALDH1A1L3MBTL1
SCHEMBL22636243 0.77 C3AR1 (0.59) C3AR1LMNAABCB1ALDH1A1HSD17B10
SCHEMBL22636241 0.77 C3AR1 (0.59) C3AR1LMNAABCB1ALDH1A1HSD17B10
SCHEMBL800967 0.76 C3AR1 (0.47) C3AR1LMNAABCB1ALDH1A1L3MBTL1
SCHEMBL10045823 0.76 C3AR1 (0.49) C3AR1LMNAABCB1ALDH1A1L3MBTL1

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
US-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 C3AR1 2841/4885LMNA 442/4885ABCB1 249/4885

“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.