SCHEMBL3677280

SCHEMBL3677280

[2H]C([2H])(COc1ccc(Cc2cc(Br)ccc2Cl)cc1)OC=C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 16/20 0.38
SLC5A1 P13866 12/20 0.38
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL3684929 0.83 SLC5A2 (0.48) SLC5A2SLC5A1
SCHEMBL38651021 0.82 L3MBTL1 (0.44) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL27368089 0.82 L3MBTL1 (0.44) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL3684101 0.81 SLC5A2 (0.44) SLC5A2SLC5A1
SCHEMBL14248446 0.80 SLC5A2 (0.44) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL500101 0.80 HTR2A (0.33) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL499606 0.80 SLC5A2 (0.56) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL500201 0.79 CCR5 (0.40) SLC5A2SLC5A1HTR2ASLC6A4KCNH2
SCHEMBL499821 0.78 SLC5A2 (0.54) SLC5A2SLC5A1
SCHEMBL16608734 0.78 PKM (0.46) SLC5A2SLC5A1HTR2ASLC6A4KCNH2

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 4 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
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 SLC5A2 2/4885SLC5A1 1/4885HTR2A 1388/4885

“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.