SCHEMBL20173647

SCHEMBL20173647

CC(C)(C)c1cc(C(=O)N2CCCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
HSP90AA1 P07900 3/20 0.54
HSP90AB1 P08238 3/20 0.54
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SERPINE1 P05121 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KCNH2 Q12809 1/20 0.48
YEATS4 O95619 1/20 0.47
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
HSD11B1 P28845 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APOBEC3G Q9HC16 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
SCHEMBL20173649 0.98 HPGD (0.57) HPGDHSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL20173650 0.97 ALDH1A1 (0.54) HPGDHSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL20164980 0.88 HPGD (0.59) HPGDHSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL9816479 0.87 HPGD (0.52) HPGDHSP90AA1HSP90AB1ALDH1A1MEN1
SCHEMBL11613230 0.85 HSP90AA1 (0.72) HPGDHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL6780219 0.85 HPGD (0.57) HPGDHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL20164970 0.80 GLRA1 (0.59) HPGDHSP90AA1HSP90AB1ALDH1A1MEN1
SCHEMBL4598135 0.80 HSP90AA1 (0.52) HPGDHSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL4597513 0.79 HSP90AA1 (0.43) HPGDHSP90AA1HSP90AB1ALDH1A1MEN1
SCHEMBL4598573 0.79 HSP90AA1 (0.45) HPGDHSP90AA1HSP90AB1ALDH1A1MEN1

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.