SCHEMBL20164987

SCHEMBL20164987

CC(C)(C)c1cc(C(=O)N2CC3(COC3)C2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.46
HSP90AB1 P08238 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
KCNH2 Q12809 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SPR P35270 1/20 0.37

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
SCHEMBL4597513 0.81 HSP90AA1 (0.43) HSP90AA1HSP90AB1MEN1KMT2ALMNA
SCHEMBL11613230 0.78 HSP90AA1 (0.72) HSP90AA1HSP90AB1MEN1KMT2AHPGD
SCHEMBL16860726 0.77 GLRA1 (0.57) HSP90AA1HSP90AB1AKR1C3SPRCA1
SCHEMBL15317729 0.77 MEN1 (0.56) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL20173650 0.75 ALDH1A1 (0.54) HSP90AA1HSP90AB1MEN1KMT2ALMNA
SCHEMBL20173647 0.75 HPGD (0.54) HSP90AA1HSP90AB1MEN1KMT2ALMNA
SCHEMBL20173649 0.74 HPGD (0.57) HSP90AA1HSP90AB1MEN1KMT2AKCNH2
SCHEMBL20164980 0.74 HPGD (0.59) HSP90AA1HSP90AB1MEN1KMT2AKCNH2
SCHEMBL4599085 0.74 HSP90AA1 (0.46) HSP90AA1HSP90AB1MEN1KMT2AKCNH2
SCHEMBL20164970 0.73 GLRA1 (0.59) HSP90AA1HSP90AB1MEN1KMT2ALMNA

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-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 US claimed
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

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 HSP90AA1 1048/4885HSP90AB1 1034/4885MEN1 3250/4885
US-20180140608-A1 METHOD ASAH2, ACHE, OPRL1 HSP90AA1 1655/4885HSP90AB1 1398/4885MEN1 2061/4885

“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.