SCHEMBL10310081

SCHEMBL10310081

CCc1cc(N2CCOCC2)c(C)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A3 P47895 3/20 0.42
ALDH3A1 P30838 1/20 0.42
PRKDC P78527 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL10310114 0.94 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL19176232 0.74 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2APRKDC
SCHEMBL19170774 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16464268 0.71 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL417908 0.71 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16577084 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13503416 0.70 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10175274 0.70 GAA (0.47) ALDH1A1LMNAMEN1KMT2AATM
SCHEMBL11339430 0.69 USP2 (0.45) ALDH1A1SMN1; SMN2LMNAPRKDCALOX15
SCHEMBL19030626 0.68 LGMN (0.48) ALDH1A1LMNAPIK3CAALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ALDH1A1 875/4885SMN1; SMN2 4605/4885LMNA 4453/4885

“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.