SCHEMBL13170804

SCHEMBL13170804

N#Cc1cccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)ccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.45
PGR P06401 1/20 0.44
STK10 O94804 1/20 0.43
SLK Q9H2G2 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PDK2 Q15119 1/20 0.41
MCL1 Q07820 1/20 0.40
ADORA2A P29274 1/20 0.40
ADRA2C P18825 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CHEK1 O14757 1/20 0.40
PDE9A O76083 1/20 0.39

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
SCHEMBL13170796 0.93 CA1 (0.48) PGRSTK10SLKCA1CA2
SCHEMBL13170801 0.88 ADRA2C (0.44) PIM1STK10SLKCA1CA2
SCHEMBL13170793 0.88 PGR (0.49) PIM1PGRCA1CA2CYP17A1
SCHEMBL13170769 0.87 PDE9A (0.48) PIM1PGRCA1CA2CYP17A1
SCHEMBL13170774 0.86 STK10 (0.48) PIM1STK10SLKCA1CA2
SCHEMBL13170973 0.85 PGR (0.47) PIM1PGRCA1CA2CYP17A1
SCHEMBL13170791 0.85 CA1 (0.49) PIM1STK10SLKCA1CA2
SCHEMBL13192416 0.83 PGR (0.48) PGRCYP17A1CYP11B1CYP11B2ADORA2A
SCHEMBL13170782 0.83 MCL1 (0.44) PIM1STK10SLKCA1CA2
SCHEMBL10051180 0.83 ADRA2C (0.49) PIM1STK10SLKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 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 (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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 PIM1 2897/4885PGR 1045/4885STK10 4079/4885

“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.