SCHEMBL20164970

SCHEMBL20164970

CC(C)(C)c1cc(C(=O)N2CC(F)C2)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.59
KCNH2 Q12809 1/20 0.46
HSP90AA1 P07900 4/20 0.46
HSP90AB1 P08238 4/20 0.46
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
RBP4 P02753 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL4598135 0.87 HSP90AA1 (0.52) GLRA1KCNH2HSP90AA1HSP90AB1LMNA
SCHEMBL4598573 0.86 HSP90AA1 (0.45) GLRA1KCNH2HSP90AA1HSP90AB1LMNA
SCHEMBL20173650 0.80 ALDH1A1 (0.54) KCNH2HSP90AA1HSP90AB1LMNARECQL
SCHEMBL20173647 0.80 HPGD (0.54) KCNH2HSP90AA1HSP90AB1LMNARECQL
SCHEMBL20164980 0.79 HPGD (0.59) KCNH2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL20173649 0.79 HPGD (0.57) KCNH2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL20164957 0.77 GLRA1 (0.64) GLRA1KCNH2HSP90AA1HSP90AB1MEN1
SCHEMBL20164958 0.77 GLRA1 (0.64) GLRA1KCNH2HSP90AA1HSP90AB1MEN1
SCHEMBL11613230 0.76 HSP90AA1 (0.72) HSP90AA1HSP90AB1MEN1KMT2ASMN1; SMN2
SCHEMBL6780219 0.76 HPGD (0.57) KCNH2HSP90AA1HSP90AB1LMNARECQL

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 GLRA1 2485/4885KCNH2 121/4885HSP90AA1 1048/4885
US-20180140608-A1 METHOD ASAH2, ACHE, OPRL1 GLRA1 3373/4885KCNH2 123/4885HSP90AA1 1655/4885

“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.