SCHEMBL371634

SCHEMBL371634

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
PDPK1 O15530 1/20 0.45
MTOR P42345 1/20 0.45
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
GJB2 P29033 2/20 0.41
TSHR P16473 1/20 0.41
PDE4D Q08499 1/20 0.39
KDM1A O60341 7/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
IDO1 P14902 1/20 0.38
TACR1 P25103 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
SCHEMBL371557 1.00 BCHE (0.49) BCHEACHEPDPK1MTORPSEN1
SCHEMBL11040038 0.88 BCHE (0.55) BCHEACHEPDPK1MTORPSEN1
SCHEMBL12152955 0.81 BCHE (0.48) BCHEACHEPDPK1MTORGJB2
SCHEMBL371459 0.80 PDE4D (0.51) BCHEACHEPDPK1MTORPSEN1
SCHEMBL371455 0.80 PDE4D (0.51) BCHEACHEPDPK1MTORPSEN1
SCHEMBL12221406 0.80 BCHE (0.49) BCHEACHEPDPK1MTORPSEN1
SCHEMBL371546 0.80 PDPK1 (0.45) BCHEACHEPDPK1MTORGJB2
SCHEMBL22765220 0.80 BCHE (0.49) BCHEACHEPDPK1MTORGJB2
SCHEMBL22747926 0.80 BCHE (0.49) BCHEACHEPDPK1MTORGJB2
SCHEMBL371547 0.80 PDPK1 (0.45) BCHEACHEPDPK1MTORGJB2

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 BCHE 3251/4885ACHE 3688/4885PDPK1 731/4885

“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.