SCHEMBL5030728

SCHEMBL5030728

COC(=O)c1cnn2ccc(C=O)cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.45
EPHB3 P54753 6/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
KMT2A Q03164 1/20 0.36
PDE4B Q07343 1/20 0.36
STING1 Q86WV6 1/20 0.36

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
SCHEMBL17320982 0.81 EPHB3 (0.56) TGFBR1EPHB3ALDH1A1SMN1; SMN2MAPT
SCHEMBL3612196 0.81 CA12 (0.46) EPHB3MAPTKDM4EALOX15TSHR
SCHEMBL19786566 0.81 EPHB3 (0.44) EPHB3ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL25336177 0.80 EPHB3 (0.44) EPHB3ALDH1A1GAAMAPTKDM4E
SCHEMBL3612887 0.80 EPHB3 (0.61) EPHB3ALDH1A1MAPTKDM4EALOX15
SCHEMBL2176212 0.79 NPC1 (0.49) EPHB3ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL12689690 0.79 SMN1; SMN2 (0.47) EPHB3ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL25367703 0.79 ALDH1A1 (0.45) EPHB3ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL2174798 0.78 IRAK4 (0.44) EPHB3ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL23873083 0.78 EPHB3 (0.42) EPHB3ALDH1A1MAPTKDM4EALOX15

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-20080262027-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 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-20080262027-A1 Novel Chemical Compounds HIPK3, DAPK3, YARS1 TGFBR1 4796/4885EPHB3 3374/4885ALDH1A1 4196/4885

“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.