SCHEMBL6861277

SCHEMBL6861277

CC(C)(C)OC(=O)COCC(COC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.48
▸ ADRB2 P07550 2/20 0.47
▸ ADRB1 P08588 2/20 0.47
▸ ADRB3 P13945 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PTPN1 P18031 2/20 0.45
▸ PRKCA P17252 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PTPN2 P17706 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 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
SCHEMBL13599580 0.83 ALDH1A1 (0.61) SERPINE1ADRB2ADRB1ADRB3ALDH1A1
Tribenzoin SCHEMBL28609 0.82 ALDH1A1 (0.67) SERPINE1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2691863 0.80 MAPK1 (0.53) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL25432766 0.77 TDP1 (0.61) ADRB2ADRB1ADRB3ALDH1A1KMT2A
Tribenzoin SCHEMBL1785543 0.76 MAPK1 (0.72) SERPINE1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL13809664 0.76 PTPN1 (0.56) SERPINE1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL13809680 0.76 PTPN1 (0.56) SERPINE1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL13809630 0.76 TSHR (0.59) SERPINE1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL25809987 0.76 ALDH1A1 (0.59) SERPINE1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1786094 0.76 ALDH1A1 (0.59) SERPINE1ADRB2ADRB1ADRB3ALDH1A1

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-6676928-B2 AS CONTRAST MEDIA FOR THE VISUALIZATION OF MALIGNANT TUMORS, LYMPH NODES AND NECROTIC TISSUE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 — — US disclosed
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use SCHERING AG (DE) 2002-06-20 — — 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-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use FFAR1, FGB, FCGRT SERPINE1 2169/4885ADRB2 1862/4885ADRB1 1297/4885

“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.

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