SCHEMBL2849236

SCHEMBL2849236

CCOc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
UCHL1 P09936 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 3/20 0.35
HIF1A Q16665 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTPN1 P18031 2/20 0.33
PTPRF P10586 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
LIPE Q05469 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 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
SCHEMBL252045 0.87 GAA (0.41) TDP1UCHL1ALDH1A1HTTSMN1; SMN2
SCHEMBL17010234 0.85 TDP1 (0.40) TDP1UCHL1ALDH1A1HTTSMN1; SMN2
SCHEMBL1918526 0.83 UCHL1 (0.36) TDP1UCHL1ALDH1A1TSHRCYP3A4
SCHEMBL17201292 0.80 CA12 (0.41) TDP1UCHL1ALDH1A1HTTSMN1; SMN2
SCHEMBL16113731 0.79 UCHL1 (0.34) UCHL1ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL17239603 0.79 MEN1 (0.38) UCHL1ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL21918371 0.79 PDE3B (0.38) UCHL1ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL424243 0.79 TDP1 (0.52) TDP1UCHL1ALDH1A1HTTSMN1; SMN2
SCHEMBL23481298 0.78 TDP1 (0.37) TDP1UCHL1ALDH1A1HTTSMN1; SMN2
SCHEMBL29992885 0.78 TDP1 (0.37) TDP1UCHL1ALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
US-8362236-B2 Macrocyclic compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-01-29 US disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
EP-2119718-B1 MACROCYCLIC COMPOUND CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-04-11 EP disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
US-20100056510-A1 Macrocyclic Compound CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-04 US disclosed
EP-2119718-A1 MACROCYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2009-11-18 EP 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-20100056510-A1 Macrocyclic Compound HSP90AB1, HSP90B1, HSP90AA1 TDP1 1669/4885UCHL1 1052/4885ALDH1A1 834/4885

“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.