SCHEMBL371489

SCHEMBL371489

N[C@H]1C[C@H](CO)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
MTOR P42345 1/20 0.45
KDM1A O60341 8/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
RCOR1 Q9UKL0 1/20 0.39
GJB2 P29033 2/20 0.38
TACR1 P25103 3/20 0.38
PDE4D Q08499 1/20 0.37
SLC6A2 P23975 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL371547 1.00 PDPK1 (0.45) PDPK1MTORKDM1AMAOAMAOB
SCHEMBL371490 1.00 PDPK1 (0.45) PDPK1MTORKDM1AMAOAMAOB
SCHEMBL371546 1.00 PDPK1 (0.45) PDPK1MTORKDM1AMAOAMAOB
SCHEMBL12152955 0.84 BCHE (0.48) PDPK1MTORGJB2TACR1PDE4D
SCHEMBL25084017 0.83 BCHE (0.47) PDPK1MTORTACR1PDE4DSLC6A2
SCHEMBL22765220 0.82 BCHE (0.49) PDPK1MTORKDM1AGJB2TACR1
SCHEMBL22747926 0.82 BCHE (0.49) PDPK1MTORKDM1AGJB2TACR1
SCHEMBL371634 0.80 BCHE (0.49) PDPK1MTORKDM1AMAOAMAOB
SCHEMBL371557 0.80 BCHE (0.49) PDPK1MTORKDM1AMAOAMAOB
SCHEMBL14490126 0.78 PDPK1 (0.42) PDPK1MTORTACR1PDE4DSLC6A2

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 PDPK1 731/4885MTOR 1209/4885KDM1A 1199/4885

“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.