SCHEMBL861778

SCHEMBL861778

Cc1cn2c3ccc(CC(C)(C)C)cc3c3ccccc3c2n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.38
PGR P06401 4/20 0.36
RORA P35398 4/20 0.36
RORC P51449 4/20 0.36
RORB Q92753 4/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ADORA2A P29274 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12759585 0.79 RORA (0.32) PGRRORARORCRORB
SCHEMBL861330 0.77 HSD17B10 (0.47) PTAFRHSD17B10ALDH1A1HPGDADORA2A
SCHEMBL861337 0.77 PGR (0.40) PGRRORARORCRORBHSD17B10
SCHEMBL861753 0.74 KDM4E (0.37) PGRRORARORCRORBHSD17B10
SCHEMBL861579 0.72 PGR (0.33) PGRRORARORCRORBHSD17B10
SCHEMBL9968160 0.70 GPR3 (0.53) PGRRORARORCRORBHSD17B10
SCHEMBL861304 0.70 PGR (0.32) PGRRORARORCRORBMEN1
SCHEMBL20313295 0.70 MEN1 (0.39) PTAFRPGRRORARORCRORB
SCHEMBL841591 0.69 PGR (0.33) PGRRORARORCRORB
SCHEMBL25725654 0.69 MAPT (0.41) PGRRORARORCRORBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 US disclosed
US-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
WO-2008156879-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2008-12-24 WO disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 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 (3 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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 PTAFR 3821/4885PGR 3202/4885RORA 2945/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 PTAFR 3821/4885PGR 3202/4885RORA 2945/4885
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS IK, CRY1, MAP1LC3C PTAFR 2151/4885PGR 3621/4885RORA 2304/4885

“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.