SCHEMBL12758992

SCHEMBL12758992

CCC12CC3CC(C1)C(S)C(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.39
GRIN3B O60391 6/20 0.39
GRIN1 Q05586 6/20 0.39
GRIN2A Q12879 6/20 0.39
GRIN2B Q13224 6/20 0.39
GRIN2C Q14957 6/20 0.39
GRIN3A Q8TCU5 6/20 0.39
PKM P14618 1/20 0.33
ESR1 P03372 1/20 0.32
CYP2C9 P11712 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1939771 0.80 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12758995 0.78 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12641166 0.78 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29159109 0.78 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12758973 0.78 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11700078 0.78 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL451246 0.78 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL451248 0.78 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12758997 0.78 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Ammonia Solution, Strong SCHEMBL5271542 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 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-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS MAVS, SLC30A5, HAVCR2 GRIN2D 1890/4885GRIN3B 2206/4885GRIN1 2482/4885

“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.