SCHEMBL13192124

SCHEMBL13192124

N#Cc1ccc(-c2ccc3cc(-c4cc5c6ccccc6c(-c6ccc7cc(-c8ccc(C#N)cc8)ccc7c6)cc5c5ccccc45)ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
PGR P06401 1/20 0.45
CYP17A1 P05093 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
PDK2 Q15119 1/20 0.40
MMP3 P08254 1/20 0.40
TNKS O95271 1/20 0.40
PDPK1 O15530 1/20 0.39
KDM1A O60341 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 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
SCHEMBL13171059 0.92 HRH3 (0.43) HRH3CYP11B1CYP11B2PGRCYP17A1
SCHEMBL16558196 0.92 CA1 (0.46) HRH3CYP11B1CYP11B2CYP17A1CA1
SCHEMBL13192123 0.92 CYP11B1 (0.50) HRH3CYP11B1CYP11B2PGRCYP17A1
SCHEMBL13170979 0.90 PDPK1 (0.45) HRH3CYP11B1CYP11B2PGRCYP17A1
SCHEMBL25477533 0.90 HRH3 (0.48) HRH3CYP11B1CYP11B2PGRCYP17A1
SCHEMBL18911926 0.89 CA1 (0.44) HRH3CYP11B1CYP11B2PGRCYP17A1
SCHEMBL13171060 0.89 HRH3 (0.39) HRH3CYP11B1CYP11B2PGRCYP17A1
SCHEMBL13192122 0.88 PRKDC (0.44) CYP11B2XDHSLC22A12PDK2MMP3
SCHEMBL13192425 0.88 MMP3 (0.47) CYP11B2CA1CA2XDHSLC22A12
SCHEMBL13192126 0.87 PGR (0.50) CYP11B1CYP11B2PGRCYP17A1CA1

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 2 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-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 HRH3 4689/4885CYP11B1 2077/4885CYP11B2 1935/4885

“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.