SCHEMBL12637460

SCHEMBL12637460

CN(C)c1nc2c(-c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cccc2o1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.32
▸ CMKLR1 Q99788 1/20 0.32
▸ PIK3CA P42336 1/20 0.31

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
SCHEMBL12637440 0.80 GSTP1 (0.39) HTR3ACMKLR1PIK3CA
SCHEMBL12591081 0.79 TDP1 (0.34) —
SCHEMBL12637442 0.78 TOP2A (0.38) HTR3ACMKLR1PIK3CA
SCHEMBL12637437 0.78 TOP2A (0.40) HTR3ACMKLR1PIK3CA
SCHEMBL12637421 0.75 NR4A2 (0.35) —
SCHEMBL12637474 0.74 SMN1; SMN2 (0.35) —
SCHEMBL20277160 0.72 ALOX5 (0.39) —
SCHEMBL12637436 0.70 ALDH1A1 (0.41) HTR3A
SCHEMBL20277509 0.69 ALOX5 (0.40) —
SCHEMBL22947700 0.69 CYP2A6 (0.44) —

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-7939669-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-10 — — US disclosed
US-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2009-12-10 — — 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-20090306395-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME SCO2, RPS4Y1, RER1 HTR3A 4426/4885CMKLR1 768/4885PIK3CA 4416/4885

“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.

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