SCHEMBL16127962

SCHEMBL16127962

C=C(C)C(=O)OCC(COC(=O)C(=C)CC(C)(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)c1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ GABBR2 O75899 1/20 0.32
▸ GABBR1 Q9UBS5 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SERPINE1 P05121 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ MAPT P10636 2/20 0.31

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
SCHEMBL15894730 0.84 PTPN1 (0.38) PTPN1SERPINE1HTTPOLBALDH1A1
SCHEMBL11920353 0.79 AR (0.41) LMNAMAPTHTTPOLBKMT2A
SCHEMBL16127934 0.78 SCN1A (0.40) SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11920352 0.78 TSHR (0.44) ALDH1A1
SCHEMBL19316660 0.77 PTPN1 (0.46) ADRB2ADRB1ADRB3PTPN1UTS2R
SCHEMBL18269756 0.77 LMNA (0.42) HPGDSMN1; SMN2DRD3NPC1RAB9A
SCHEMBL22475351 0.75 AR (0.39) MAPTPOLBALDH1A1KMT2A
SCHEMBL22417596 0.74 TSHR (0.40) —
SCHEMBL13135914 0.74 ADRB2 (0.62) ADRB2ADRB1ADRB3HRH3KDM4E
SCHEMBL15894729 0.73 TSHR (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976323-B1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2020-07-15 — — EP disclosed
US-20190105237-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2019-04-11 — — US disclosed
US-10195119-B2 High refractive index addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-05 — — US disclosed
US-20160279033-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2016-09-29 — — US disclosed
US-20160279033-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2016-09-29 — — US disclosed
WO-2014151363-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-25 — — WO 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-10195119-B2 High refractive index addition-fragmentation agents EEF1G, FANCI, EEF1E1 ADRB2 3626/4885ADRB1 4264/4885ADRB3 3918/4885
US-20160279033-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS EEF1G, FANCI, EEF1E1 ADRB2 3626/4885ADRB1 4264/4885ADRB3 3918/4885
US-20190105237-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS EEF1G, FANCI, EEF1E1 ADRB2 3626/4885ADRB1 4264/4885ADRB3 3918/4885

“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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