SCHEMBL10028036

SCHEMBL10028036

COc1cccc2c1-c1ncc3ccccc3c1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
ACHE P22303 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA6 P23280 4/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NISCH Q9Y2I1 1/20 0.38
HTR2A P28223 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
PDPK1 O15530 1/20 0.37
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL10000550 0.81 CYP2A6 (0.40) ACHECA1CA2CA4CA6
SCHEMBL10027995 0.77 SMN1; SMN2 (0.41) MAPTACHERAB9AMEN1KMT2A
SCHEMBL10027988 0.76 ALDH1A1 (0.40) MAPTACHECA1CA2CA4
SCHEMBL30181084 0.75 ACHE (0.50) MAPTACHECA1CA2CA4
SCHEMBL647673 0.75 ACHE (0.50) MAPTACHECA1CA2CA4
Hydrochloric Acid SCHEMBL645057 0.74 ACHE (0.49) MAPTACHECA1CA2CA4
Hydrochloric Acid SCHEMBL6448211 0.74 ACHE (0.49) MAPTACHECA1CA2CA4
SCHEMBL10028041 0.72 MAPT (0.64) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL10028042 0.72 MAPT (0.41) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL10027992 0.71 CYP19A1 (0.42) MAPTDRD2DRD1DRD5DRD3

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 MAPT 2360/4885DRD2 239/4885DRD1 27/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 MAPT 2360/4885DRD2 239/4885DRD1 27/4885

“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.