SCHEMBL17445451

SCHEMBL17445451

Brc1cc(-c2ccc3ccccc3c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50
GSK3B P49841 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
NISCH Q9Y2I1 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPK9 P45984 2/20 0.45
MAPK10 P53779 2/20 0.45
MAPK8 P45983 1/20 0.45
SRC P12931 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL31205665 0.82 ESR1 (0.52) CYP11B1CYP11B2CYP17A1CYP19A1ESR1
SCHEMBL20958107 0.82 ALDH1A1 (0.46) NISCHALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22912663 0.81 IDO1 (0.55) MAPK10ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL30375140 0.79 NOTUM (0.48) NISCHALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4993 0.79 NOTUM (0.48) NISCHALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25954683 0.78 MAPKAPK2 (0.53) CYP11B1CYP11B2CYP17A1CYP19A1GSK3B
SCHEMBL2879508 0.77 CYP17A1 (0.50) CYP11B1CYP11B2CYP17A1CYP19A1GSK3B
SCHEMBL16805041 0.77 DYRK1A (0.58) CYP11B1CYP11B2CYP17A1CYP19A1GSK3B
SCHEMBL18703800 0.77 DYRK1A (0.57) CYP11B1CYP11B2CYP17A1CYP19A1GSK3B
SCHEMBL28822109 0.77 GSK3B (0.48) CYP11B1CYP11B2CYP17A1CYP19A1GSK3B

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-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 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-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 CYP11B1 3202/4885CYP11B2 2667/4885CYP17A1 1740/4885

“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.