SCHEMBL371455

SCHEMBL371455

O[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.51
BCHE P06276 4/20 0.49
ACHE P22303 2/20 0.49
PDPK1 O15530 2/20 0.49
MTOR P42345 1/20 0.49
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.39
TACR1 P25103 2/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL371459 1.00 PDE4D (0.51) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL14180093 0.89 TACR1 (0.45) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL14180132 0.89 PDE4D (0.50) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL11040038 0.88 BCHE (0.55) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL23049083 0.85 BCHE (0.48) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL14180108 0.83 BCHE (0.49) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL371469 0.83 BCHE (0.49) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL30171080 0.83 BCHE (0.49) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL12152898 0.83 BCHE (0.49) PDE4DBCHEACHEPDPK1MTOR
SCHEMBL13562761 0.83 BCHE (0.49) PDE4DBCHEACHEPDPK1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120093875-A1 AMINOCYCLITOL COMPOUNDS, PROCESS FOR OBTAINING THEM AND USES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2012-04-19 US disclosed
EP-2409966-A1 AMINOCYCLITOL COMPOUNDS, PROCEDURE FOR THE OBTAINMENT AND USES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2012-01-25 EP 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-20120093875-A1 AMINOCYCLITOL COMPOUNDS, PROCESS FOR OBTAINING THEM AND USES AADAT, NFATC1, PBK PDE4D 2261/4885BCHE 3251/4885ACHE 3688/4885

“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.