SCHEMBL5140282

SCHEMBL5140282

C=CC(C=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
ALDH1A1 P00352 9/20 0.42
MAPT P10636 7/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HTT P42858 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 3/20 0.42
LGMN Q99538 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALOX15 P16050 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 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
SCHEMBL6383636 0.90 ALDH1A1 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3234322 0.77 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21495008 0.77 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27989631 0.77 ALDH1A1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL5140283 0.76 ALDH1A1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL7457255 0.75 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1515690 0.74 LMNA (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27811258 0.73 GSK3B (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2389652 0.73 HIF1A (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30379425 0.73 CYP17A1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-20080045708-A1 New Process for the Synthesis of Morpholinylbenzenes TIAN WEI 2008-02-21 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-20080045708-A1 New Process for the Synthesis of Morpholinylbenzenes CYP1B1, TBCB, MAP1B PIK3CD 3538/4885PIK3CA 3827/4885PIK3CB 1701/4885

“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.