SCHEMBL10000565

SCHEMBL10000565

Cc1c2c(cc3ccccc13)Cc1c-2ncc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.36
CYP1A2 P05177 4/20 0.36
KDM4E B2RXH2 1/20 0.36
GPR3 P46089 1/20 0.36
ACHE P22303 3/20 0.35
AKT1 P31749 1/20 0.33
TSHR P16473 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA4 P22748 3/20 0.32
CA6 P23280 3/20 0.32
HTR3A P46098 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
MAPK10 P53779 1/20 0.31
RIPK1 Q13546 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
SCHEMBL10027988 0.81 ALDH1A1 (0.40) KDM4EACHECA1CA2CA4
SCHEMBL10000577 0.79 PDGFRB (0.39) KDM4EAKT1TSHRTDP1CTDSP1
SCHEMBL10000560 0.78 CCR1 (0.37) CYP2A6CYP1A2KDM4ETSHR
SCHEMBL10000550 0.77 CYP2A6 (0.40) CYP2A6CYP1A2KDM4EGPR3ACHE
SCHEMBL10000572 0.76 MAPT (0.54) KDM4EACHETSHRTOP2ATOP2B
SCHEMBL647673 0.74 ACHE (0.50) KDM4EGPR3ACHETSHRCA1
SCHEMBL30181084 0.74 ACHE (0.50) KDM4EGPR3ACHETSHRCA1
Hydrochloric Acid SCHEMBL645057 0.73 ACHE (0.49) KDM4EGPR3ACHETSHRCA1
Hydrochloric Acid SCHEMBL6448211 0.73 ACHE (0.49) KDM4EGPR3ACHETSHRCA1
SCHEMBL10000566 0.71 KMT2A (0.38) CYP2A6CYP1A2KDM4EGPR3TSHR

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 501/4885CYP1A2 471/4885KDM4E 3600/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 CYP2A6 501/4885CYP1A2 471/4885KDM4E 3600/4885

“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.