SCHEMBL13192003

SCHEMBL13192003

N#Cc1ccc(-c2ccccc2-c2ccc3cc(-c4cc5ccc6ccccc6c5c5ccccc45)ccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
PIM1 P11309 2/20 0.41
KDM1A O60341 2/20 0.40
PDPK1 O15530 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
XDH P47989 1/20 0.39
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
CYP17A1 P05093 1/20 0.37
MMP3 P08254 1/20 0.36
IDO1 P14902 1/20 0.36
GSTP1 P09211 1/20 0.36
TNKS O95271 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE9A O76083 1/20 0.35

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
SCHEMBL13170990 0.93 CA1 (0.45) CA1CA2PIM1PDPK1SLC22A12
SCHEMBL13170986 0.93 CA1 (0.45) CA1CA2PIM1PDPK1SLC22A12
SCHEMBL13171022 0.93 CA1 (0.50) CA1CA2PIM1PDPK1SLC22A12
SCHEMBL13170993 0.92 CA1 (0.50) CA1CA2PIM1PDPK1SLC22A12
SCHEMBL13170988 0.91 CA1 (0.49) CA1CA2PIM1PDPK1SLC22A12
SCHEMBL13170976 0.91 CA1 (0.49) CA1CA2PIM1PDPK1SLC22A12
SCHEMBL13171020 0.90 CA1 (0.44) CA1CA2PIM1KDM1APDPK1
SCHEMBL13170980 0.89 ADRA2C (0.43) CA1CA2PIM1SLC22A12XDH
SCHEMBL13171002 0.89 CA1 (0.42) CA1CA2PIM1PDPK1SLC22A12
SCHEMBL13192364 0.87 PDPK1 (0.44) CA1CA2PIM1KDM1APDPK1

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 CA1 3983/4885CA2 2855/4885PIM1 2897/4885

“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.