SCHEMBL2950856

SCHEMBL2950856

COc1cc(C(C)N2CCOCC2)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.51
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 2/20 0.45
P4HB P07237 2/20 0.43
SMAD3 P84022 2/20 0.43
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30475844 0.83 ALDH1A1 (0.49) ACHEALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL25384511 0.81 ACHE (0.47) ACHEALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL2950477 0.81 ALDH1A1 (0.47) ACHEALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL13163095 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ESMN1; SMN2TSHR
SCHEMBL3311700 0.78 MAPT (0.55) ALDH1A1KDM4ESMN1; SMN2KMT2AHIF1A
SCHEMBL13638740 0.76 LTA4H (0.38) ACHEALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2950474 0.76 KDM4E (0.53) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL8983621 0.75 ALDH1A1 (0.65) ACHEALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL17696098 0.75 OGA (0.42)
SCHEMBL263756 0.75 LTA4H (0.49) ACHEALDH1A1SMN1; SMN2CYP3A4TSHR

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 5 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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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 ACHE 1111/4885ALDH1A1 238/4885L3MBTL1 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.