SCHEMBL21395747

SCHEMBL21395747

N#Cc1ccc2oc3ccc(-c4cccc(-c5cccc(-c6cnc7c(ccc8cccnc87)c6)c5)c4)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PARP1 P09874 1/20 0.44
PGR P06401 3/20 0.42
NEK1 Q96PY6 1/20 0.41
ADORA2A P29274 1/20 0.40
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
KIT P10721 1/20 0.38
FABP1 P07148 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL21396183 0.90 PARP1 (0.40) CYP17A1CYP11B1CYP11B2PARP1PGR
SCHEMBL21396182 0.90 CYP11B1 (0.40) CYP17A1CYP11B1CYP11B2PARP1PGR
SCHEMBL21395749 0.87 CYP17A1 (0.42) CYP17A1CYP11B1CYP11B2PGRNEK1
SCHEMBL21395746 0.84 CYP11B1 (0.45) CYP17A1CYP11B1CYP11B2PGRNEK1
SCHEMBL20726737 0.83 PARP1 (0.51) CYP17A1CYP11B1CYP11B2PARP1ADORA2A
SCHEMBL21396131 0.83 CCR1 (0.37) CYP17A1CYP11B1CYP11B2PGRADORA2A
SCHEMBL21395744 0.83 CYP11B2 (0.41) CYP17A1CYP11B1CYP11B2PGRPDE4D
SCHEMBL21395748 0.83 CYP11B2 (0.41) CYP17A1CYP11B1CYP11B2PGRPDE4D
SCHEMBL20726898 0.82 PARP1 (0.53) CYP17A1CYP11B1CYP11B2PARP1ADORA2A
SCHEMBL21395739 0.82 SLC40A1 (0.41) CYP17A1CYP11B1CYP11B2PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 CYP17A1 2548/4885CYP11B1 515/4885CYP11B2 183/4885

“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.