SCHEMBL10031310

SCHEMBL10031310

Cc1c(Cc2ccc(OC(C)C)cc2)c(OC(C)(C)C)nn1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 6/20 0.56
SLC5A2 P31639 6/20 0.56
LMNA P02545 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
HIF1A Q16665 1/20 0.36
P2RX3 P56373 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34
POLB P06746 2/20 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
SCHEMBL10064922 0.84 SLC5A1 (0.57) SLC5A1SLC5A2LMNAL3MBTL1ALDH1A1
SCHEMBL10031313 0.83 SLC5A1 (0.54) SLC5A1SLC5A2LMNAL3MBTL1ALDH1A1
SCHEMBL10031323 0.80 SLC5A1 (0.54) SLC5A1SLC5A2LMNAL3MBTL1ALDH1A1
SCHEMBL10031316 0.79 SLC5A1 (0.37) SLC5A1SLC5A2LMNAP2RX3
SCHEMBL16845135 0.78 SLC5A1 (0.56) SLC5A1SLC5A2LMNAL3MBTL1ALDH1A1
SCHEMBL10031312 0.77 SLC5A1 (0.50) SLC5A1SLC5A2LMNAL3MBTL1ALDH1A1
SCHEMBL10031317 0.76 CYP17A1 (0.36) SLC5A1SLC5A2L3MBTL1ALDH1A1MAPK1
SCHEMBL23436552 0.74 SLC5A1 (0.54) SLC5A1SLC5A2LMNAL3MBTL1ALDH1A1
SCHEMBL19114941 0.74 SLC5A1 (0.51) SLC5A1SLC5A2LMNAL3MBTL1ALDH1A1
SCHEMBL14862842 0.74 SLC5A2 (0.80) SLC5A1SLC5A2

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-20120053330-A1 Chemical Process GLAXOSMITHKLINE LLC 2012-03-01 US disclosed
US-20120053330-A1 Chemical Process GLAXOSMITHKLINE LLC 2012-03-01 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-20120053330-A1 Chemical Process SLC5A2, SLC5A1, UGGT1 SLC5A1 2/4885SLC5A2 1/4885LMNA 4499/4885

“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.