SCHEMBL10051180

SCHEMBL10051180

N#Cc1cccc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.49
PDK2 Q15119 1/20 0.46
MCL1 Q07820 2/20 0.46
ADORA2A P29274 1/20 0.46
STK10 O94804 1/20 0.45
SLK Q9H2G2 1/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
PIM1 P11309 2/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 2/20 0.45
CHEK1 O14757 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
ENPP1 P22413 1/20 0.43
CLK4 Q9HAZ1 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL15853175 0.94 ADRA2C (0.54) ADRA2CPDK2MCL1ADORA2ASTK10
SCHEMBL13170801 0.90 ADRA2C (0.44) ADRA2CPDK2MCL1ADORA2ASTK10
SCHEMBL10051153 0.89 MCL1 (0.47) MCL1STK10SLKCA1CA2
SCHEMBL26750958 0.87 CYP1A2 (0.49) MCL1CA1CA2PIM1CYP1A2
SCHEMBL10051189 0.87 CYP1A2 (0.49) MCL1CA1CA2PIM1CYP1A2
SCHEMBL13170796 0.87 CA1 (0.48) ADRA2CPDK2MCL1ADORA2ASTK10
SCHEMBL28520824 0.85 ADORA2A (0.47) ADRA2CPDK2MCL1ADORA2ASTK10
SCHEMBL13170973 0.84 PGR (0.47) ADRA2CPDK2MCL1ADORA2ACA1
SCHEMBL10296082 0.83 CYP1A2 (0.51) MCL1CA1CA2PIM1CYP1A2
SCHEMBL13170804 0.83 PIM1 (0.45) ADRA2CPDK2MCL1ADORA2ASTK10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015089028-A1 PHOTOACTIVE COMPOSITIONS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-06-18 WO disclosed
WO-2015089028-A1 PHOTOACTIVE COMPOSITIONS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-06-18 WO disclosed
US-20120187383-A1 ELECTROACTIVE COMPOUND AND COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-26 US disclosed
US-20120187383-A1 ELECTROACTIVE COMPOUND AND COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-26 US disclosed
WO-2012021315-A2 ELECTROACTIVE COMPOUND AND COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-16 WO 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 (1 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-20120187383-A1 ELECTROACTIVE COMPOUND AND COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION CCNL2, ESR1, ESR2 ADRA2C 306/4885PDK2 3073/4885MCL1 3879/4885

“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.