SCHEMBL10000617

SCHEMBL10000617

Cc1cnccc1OBO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SSTR4 P31391 1/20 0.36
CA12 O43570 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CYP2A6 P11509 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2E1 P05181 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDE2A O00408 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE10A Q9Y233 1/20 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
SCHEMBL26652610 0.84 CHRNB2 (0.41) SIRT3TDP1SSTR4CYP2A6CYP1A2
SCHEMBL16861325 0.83 CA12 (0.35) SIRT3TDP1SSTR4CA12CA2
Water SCHEMBL29088290 0.77 CHRNB4 (0.42) CA12CA2CA9CA1CYP2A6
SCHEMBL10364236 0.76 CA12 (0.35) CA12CA2CA9CA1CA14
SCHEMBL12557645 0.76 LOXL2 (0.38) CA12CA2CA9CA1CA14
SCHEMBL12556810 0.76 GAA (0.42) CA12CA2CA9CA1CA14
SCHEMBL1106628 0.74
SCHEMBL4079147 0.73 CA12 (0.54) SSTR4CA12CA2CA9CA1
SCHEMBL4074485 0.73 LOX (0.42) SSTR4CA12CA2CA9CA1
SCHEMBL10000595 0.73 CLK1 (0.39) NOTUM

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
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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 (2 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 SIRT3 3864/4885TDP1 2966/4885SSTR4 4016/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 SIRT3 3864/4885TDP1 2966/4885SSTR4 4016/4885

“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.