SCHEMBL21227110

SCHEMBL21227110

COc1cc(CCC(C)(C)C)ccn1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.61
LOX P28300 3/20 0.61
SLC13A5 Q86YT5 1/20 0.44
FFAR1 O14842 1/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
AR P10275 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
LRRK2 Q5S007 1/20 0.36
CHRM1 P11229 1/20 0.35
PLA2G7 Q13093 1/20 0.35
NR3C2 P08235 1/20 0.35
CCR9 P51686 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL4384241 0.85 LOXL2 (0.57) LOXL2LOXSLC13A5FFAR1GSK3A
SCHEMBL13028811 0.81 LOXL2 (0.65) LOXL2LOXSLC13A5FFAR1GSK3A
SCHEMBL12093687 0.81 LOXL2 (0.65) LOXL2LOXSLC13A5FFAR1GSK3A
SCHEMBL14486857 0.80 LOXL2 (0.62) LOXL2LOXSLC13A5FFAR1GSK3A
SCHEMBL22336235 0.80 LOXL2 (0.68) LOXL2LOXSLC13A5FFAR1GSK3A
SCHEMBL12093676 0.80 LOXL2 (0.62) LOXL2LOXSLC13A5FFAR1GSK3A
SCHEMBL31583016 0.80 LOXL2 (0.62) LOXL2LOXSLC13A5FFAR1GSK3A
SCHEMBL6218599 0.80 LOXL2 (0.73) LOXL2LOXFFAR1
SCHEMBL2497237 0.80 LOXL2 (0.62) LOXL2LOXSLC13A5FFAR1GSK3A
SCHEMBL13965739 0.79 LOX (0.53) LOXL2LOXSLC13A5GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 LOXL2 3985/4885LOX 2624/4885SLC13A5 4831/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 LOXL2 3985/4885LOX 2624/4885SLC13A5 4831/4885

“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.