SCHEMBL12142256

SCHEMBL12142256

CC(C)OC(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.54
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL7242519 0.85 NPSR1 (0.63) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL43683 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL30386758 0.81 ACHE (0.59) ACHESMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL1787501 0.81 ACHE (0.59) ACHENPC1RAB9ACA12CA1
SCHEMBL669361 0.81 ACHE (0.59) ACHESMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL15199185 0.79 ACHE (0.57) ACHEMAPTHDAC8HDAC6HDAC3
SCHEMBL13008167 0.79 ACHE (0.57) ACHEMAPTCA12CA1CA2
SCHEMBL27536386 0.79 NPSR1 (0.56) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL12597696 0.79 CA1 (0.63) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL7471082 0.78 NPSR1 (0.55) NPC1RAB9ASMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S ACHE 602/4885NPC1 168/4885RAB9A 1802/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S ACHE 602/4885NPC1 168/4885RAB9A 1802/4885

“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.