SCHEMBL10000562

SCHEMBL10000562

Cc1c2c(cc3ccccc13)C(C)(C)c1cccnc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.39
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP2A6 P11509 3/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 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
SCHEMBL10000599 0.86 PDK2 (0.37) PDK2NPC1L3MBTL1HSP90AA1CYP2A6
SCHEMBL10000559 0.84 PDK2 (0.38) PDK2CCR1CCR8NPC1L3MBTL1
SCHEMBL10027758 0.82 KDM4E (0.35) PDK2ALDH1A1KDM4EPOLBRAB9A
SCHEMBL10000576 0.79 PSMB5 (0.36) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL24349352 0.78 CYP3A4 (0.42) PDK2CCR1CCR8NPC1L3MBTL1
SCHEMBL10000564 0.76 MEN1 (0.36) PDK2CYP2A6ALDH1A1KMT2ACYP1A2
SCHEMBL10000597 0.73 PDK2 (0.36) PDK2CYP2A6KMT2ACYP1A2KDM4E
SCHEMBL16134265 0.73 PDK2 (0.36) PDK2CCR1CCR8L3MBTL1KMT2A
SCHEMBL16547409 0.72 KDM4E (0.38) PDK2NPC1ALDH1A1KMT2ACYP1A2
SCHEMBL12952457 0.72 HTR2B (0.37) CCR1CCR8NPC1ALDH1A1KMT2A

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 PDK2 3422/4885CCR1 1451/4885CCR8 3158/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 PDK2 3422/4885CCR1 1451/4885CCR8 3158/4885

“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.