SCHEMBL13170682

SCHEMBL13170682

N#Cc1ccc2c(ccc3cc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PDPK1 O15530 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
HSD17B1 P14061 1/20 0.35
CYP2B6 P20813 1/20 0.35
HSD17B2 P37059 1/20 0.35
ADORA2A P29274 1/20 0.35
PIM1 P11309 1/20 0.35
MEN1 O00255 3/20 0.34

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
SCHEMBL10038778 0.95 CYP11B1 (0.42) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170681 0.94 ESR1 (0.38) CYP11B1CYP11B2CYP17A1XDHSLC22A12
SCHEMBL13170684 0.94 PGR (0.40) XDHSLC22A12CYP1A2CYP3A4CYP2C19
SCHEMBL13170711 0.94 CYP11B1 (0.44) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170718 0.94 CYP11B1 (0.39) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170700 0.94 CYP11B1 (0.41) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170653 0.93 CYP11B1 (0.43) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL21249209 0.92 ALDH1A1 (0.38) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170654 0.91 CYP11B1 (0.43) CA1CA2CYP11B1CYP11B2CYP17A1
SCHEMBL13170709 0.89 CYP17A1 (0.39) CYP11B1CYP11B2CYP17A1SLC22A12PIM1

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 8 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-9120748-B2 Fluoranthene compound, organic electroluminescence device using the same, and solution containing organic electroluminescence material IDEMITSU KOSAN CO., LTD. (JP) 2015-09-01 US disclosed
US-9120748-B2 Fluoranthene compound, organic electroluminescence device using the same, and solution containing organic electroluminescence material IDEMITSU KOSAN CO., LTD. (JP) 2015-09-01 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
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 US disclosed
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 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 (2 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 2855/4885CYP11B1 2077/4885
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL LEF1, ESD, AFF2 CA1 2917/4885CA2 2382/4885CYP11B1 3755/4885

“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.