SCHEMBL3696017

SCHEMBL3696017

COc1cc(C(C)(C)CN2CCOCC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.39
SYK P43405 1/20 0.39
CYP2D6 P10635 1/20 0.39
GAK O14976 1/20 0.38
KIT P10721 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL31525392 0.80 SMN1; SMN2 (0.46) F10HTTL3MBTL1ALDH1A1MEN1
SCHEMBL2946935 0.79 ALDH1A1 (0.46) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL14321356 0.77 CD274 (0.45) F10ALDH1A1MEN1MAPTKMT2A
SCHEMBL13178115 0.76 SMN1; SMN2 (0.52) HTTL3MBTL1ALDH1A1TSHRCYP2D6
SCHEMBL25383181 0.75 ALDH1A1 (0.40) L3MBTL1ALDH1A1MEN1MAPTKMT2A
SCHEMBL29788564 0.75 HTT (0.66) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL521236 0.75 HTT (0.66) HTTALDH1A1MEN1KMT2ATSHR
SCHEMBL12449601 0.74 SIGMAR1 (0.58) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL520387 0.73 SIGMAR1 (0.55) HTTALDH1A1TSHRSYKCYP2D6
SCHEMBL11596 0.72 SIGMAR1 (0.45) F10ALDH1A1MEN1KMT2A

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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 (1 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 F10 2461/4885HTT 89/4885L3MBTL1 2909/4885

“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.