SCHEMBL13799324

SCHEMBL13799324

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(CCCCNC(=O)COc1ccc(OCCOCCOCCOCCCCCCCCCCCS)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
EPOR P19235 8/20 0.37
EPHX2 P34913 1/20 0.34
NCF1 P14598 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL13799323 0.89 TSHR (0.38) TSHRRECQLALDH1A1CA12CA1
SCHEMBL13799325 0.76 RECQL (0.44) TSHRRECQLALDH1A1EPORNCF1
SCHEMBL15215664 0.71 KDM4E (0.39) CA12CA1CA2CA9EPHX2
SCHEMBL4159198 0.70 TSHR (0.52) TSHRRECQLALDH1A1NCF1ITGB3
SCHEMBL13799322 0.70 MAPT (0.41)
SCHEMBL22334291 0.69 MEN1 (0.30) CA12CA1CA2CA9
SCHEMBL13799320 0.69 TSHR (0.43) TSHRRECQLALDH1A1CA12CA1
SCHEMBL1882392 0.68 MAPT (0.56)
SCHEMBL4541834 0.68 MAPT (0.56)
SCHEMBL23278777 0.67 FOLH1 (0.36) EPOR

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
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 US disclosed
US-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STRATOS BIOSYSTEMS, LLC (US) 2009-06-25 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-20090163380-A1 ANALYTE FOCUSING BIOCHIPS FOR AFFINITY MASS SPECTROMETRY STUB1, SPR, DBI TSHR 2242/4885RECQL 4532/4885ALDH1A1 2500/4885

“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.