SCHEMBL15316028

SCHEMBL15316028

c1ccc(-c2nc3ccccc3n2-c2c(-c3cccc4c3oc3ccccc34)cccc2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALOX5 P09917 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.37
PRKDC P78527 3/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 2/20 0.34
PTGS2 P35354 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 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
SCHEMBL12349671 0.86 ALOX5 (0.43) ESR1ESR2ALOX5ALDH1A1HPGD
SCHEMBL22706233 0.85 ALOX5 (0.42) ESR1ESR2ALOX5ALDH1A1HPGD
SCHEMBL16634843 0.83 ESR1 (0.46) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL23086801 0.82 RAB9A (0.44) ESR1ESR2ALOX5ALDH1A1HPGD
SCHEMBL12349691 0.82 ESR1 (0.52) ESR1ESR2ALOX5ALDH1A1HPGD
SCHEMBL12349386 0.82 GSR (0.43) ESR1ESR2ALOX5ALDH1A1HPGD
SCHEMBL9288678 0.82 ESR1 (0.41) ESR1ESR2ALOX5ALDH1A1HPGD
SCHEMBL1994838 0.81 ESR1 (0.48) ESR1ESR2ALOX5ALDH1A1HPGD
SCHEMBL15481551 0.81 ESR1 (0.46) ESR1ESR2ALOX5ALDH1A1HPGD
SCHEMBL21898592 0.80 ESR1 (0.42) ESR1ESR2ALDH1A1HPGDKDM4E

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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US disclosed
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L ESR1 524/4885ESR2 873/4885ALOX5 1214/4885

“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.