SCHEMBL3678831

SCHEMBL3678831

[2H]C([2H])(c1ccc(CC)cc1)c1cc(C2=C[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
SLC5A2 P31639 5/20 0.33
SLC5A1 P13866 3/20 0.33

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
SCHEMBL48115 0.91 SLC5A2 (0.40) BCHEACHESLC5A2SLC5A1
SCHEMBL3684678 0.90 SLC5A2 (0.43) BCHEACHESLC5A2SLC5A1
SCHEMBL3679099 0.89 BCHE (0.34) BCHEACHESLC5A2SLC5A1
SCHEMBL13445717 0.83 SLC5A2 (0.38) BCHEACHESLC5A2SLC5A1
SCHEMBL25333903 0.82 SLC5A2 (0.51) SLC5A2SLC5A1
SCHEMBL18661895 0.82 SLC5A2 (0.51) SLC5A2SLC5A1
SCHEMBL13445807 0.81 SLC5A2 (0.36) BCHEACHESLC5A2SLC5A1
SCHEMBL12152975 0.80 BCHE (0.44) BCHEACHE
SCHEMBL2578566 0.80 BCHE (0.40) BCHEACHESLC5A2
SCHEMBL2578567 0.80 BCHE (0.40) BCHEACHESLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2312944-B1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2018-09-05 EP disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 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-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A1, SLC5A2, SLC2A4 BCHE 1659/4885ACHE 4218/4885SLC5A2 2/4885

“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.