SCHEMBL13764530

SCHEMBL13764530

COC(=O)CCC(C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
SLC1A1 P43005 1/20 0.39
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13764528 0.82 TSHR (0.35) TSHRSLC1A1KMT2ACA12CA1
SCHEMBL2080936 0.79 TSHR (0.43) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL13764529 0.78 GABRP (0.41) TSHRSLC1A1KMT2AMEN1
SCHEMBL9244038 0.75 TSHR (0.52) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL16329096 0.74 TSHR (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL9886433 0.73 TSHR (0.40) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL14354976 0.72 SLC1A1 (0.49) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL8041785 0.71 RIPK1 (0.31)
SCHEMBL3987823 0.69 RECQL (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL13768727 0.69 SLC1A1 (0.42) TSHRSLC1A1KMT2AMEN1LMNA

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-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 TSHR 2353/4885SLC1A1 713/4885KMT2A 1452/4885

“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.