SCHEMBL15316111

SCHEMBL15316111

CC(C)(c1ccccc1)c1ccccc1-n1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3C(C)(C)c3ccccc3)cc2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TSHR P16473 2/20 0.42
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CACNG2 Q9Y698 1/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 3/20 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
SCHEMBL15316010 0.76 ESR1 (0.48) ESR1ESR2TSHRGRIA1CACNG8
SCHEMBL13299515 0.75 TSHR (0.68) PTGS2ESR1ESR2TSHRHTT
SCHEMBL23465972 0.74 GSR (0.51) PTGS2ESR1ESR2TSHRGRIA1
SCHEMBL15064151 0.73 ESR1 (0.58) PTGS2ESR1ESR2GRIA1CACNG8
SCHEMBL23266608 0.73 ESR1 (0.58) PTGS2ESR1ESR2TSHRGRIA1
SCHEMBL13299523 0.73 ESR1 (0.48) PTGS2ESR1ESR2TSHRHTT
SCHEMBL14582718 0.73 ESR1 (0.54) PTGS2ESR1ESR2TSHRGRIA1
SCHEMBL2462367 0.72 ESR1 (0.56) PTGS2ESR1ESR2TSHRGRIA1
SCHEMBL12854036 0.72 ESR1 (0.56) PTGS2ESR1ESR2TSHRGRIA1
SCHEMBL26017755 0.71 ESR2 (0.60) PTGS2ESR1ESR2GRIA1CACNG8

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 PTGS2 1184/4885ESR1 524/4885ESR2 873/4885

“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.