SCHEMBL20173649

SCHEMBL20173649

CC(C)(C)c1cc(C(=O)N2CCCCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.57
HSP90AA1 P07900 3/20 0.52
HSP90AB1 P08238 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD11B1 P28845 1/20 0.49
SERPINE1 P05121 1/20 0.49
MAPK1 P28482 1/20 0.47
KCNH2 Q12809 1/20 0.47
YEATS4 O95619 1/20 0.46

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
SCHEMBL20173647 0.98 HPGD (0.54) HPGDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL20173650 0.95 ALDH1A1 (0.54) HPGDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL20164980 0.87 HPGD (0.59) HPGDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL9816479 0.85 HPGD (0.52) HPGDHSP90AA1HSP90AB1ALDH1A1MEN1
SCHEMBL6780219 0.84 HPGD (0.57) HPGDHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL11613230 0.84 HSP90AA1 (0.72) HPGDHSP90AA1HSP90AB1TDP1MEN1
SCHEMBL20164970 0.79 GLRA1 (0.59) HPGDHSP90AA1HSP90AB1ALDH1A1TDP1
SCHEMBL4300003 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MEN1HTT
SCHEMBL4598135 0.79 HSP90AA1 (0.52) HPGDHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL4597513 0.78 HSP90AA1 (0.43) HPGDHSP90AA1HSP90AB1ALDH1A1TDP1

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-10449198-B2 Method for treating pain THE UNIVERSITY OF LIVERPOOL (GB) 2019-10-22 US disclosed
US-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 US disclosed
US-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 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 (2 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-10449198-B2 Method for treating pain ACHE, ASAH2, OPRL1 HPGD 180/4885HSP90AA1 1048/4885HSP90AB1 1034/4885
US-20180140608-A1 METHOD ASAH2, ACHE, OPRL1 HPGD 141/4885HSP90AA1 1655/4885HSP90AB1 1398/4885

“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.