SCHEMBL10000550

SCHEMBL10000550

Cc1cccc2c1-c1ncc3ccccc3c1C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ACHE P22303 6/20 0.40
BCHE P06276 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GPR3 P46089 1/20 0.37
AKT1 P31749 1/20 0.36
CYP1A2 P05177 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
FGFR1 P11362 1/20 0.33
MAP4K1 Q92918 1/20 0.33
ADORA2A P29274 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
SCHEMBL10028036 0.81 MAPT (0.42) ALDH1A1ACHECA1CA2CA4
SCHEMBL647673 0.79 ACHE (0.50) ALDH1A1ACHEBCHECA1CA2
SCHEMBL26266875 0.79 CCR1 (0.33) ACHE
SCHEMBL30181084 0.79 ACHE (0.50) ALDH1A1ACHEBCHECA1CA2
Hydrochloric Acid SCHEMBL6448211 0.78 ACHE (0.49) ALDH1A1ACHEBCHECA1CA2
Hydrochloric Acid SCHEMBL645057 0.78 ACHE (0.49) ALDH1A1ACHEBCHECA1CA2
SCHEMBL10000565 0.77 CYP2A6 (0.36) CYP2A6ACHECA1CA2CA4
SCHEMBL10000593 0.76 CA12 (0.43) CYP2A6ALDH1A1ACHECA1CA2
SCHEMBL18416138 0.73 CYP2A6 (0.41) CYP2A6ALDH1A1ACHEBCHEKDM4E
SCHEMBL18416149 0.71 GPR3 (0.39) CYP2A6ALDH1A1ACHEBCHEKDM4E

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 CYP2A6 501/4885ALDH1A1 122/4885ACHE 1797/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CYP2A6 501/4885ALDH1A1 122/4885ACHE 1797/4885

“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.