SCHEMBL172229

SCHEMBL172229

C=C(C)C(=O)OCC(CO)OC(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.45
▸ ADRB1 P08588 2/20 0.45
▸ ADRB3 P13945 2/20 0.45
▸ CDC25B P30305 2/20 0.42
▸ UTS2R Q9UKP6 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CACNA1B Q00975 2/20 0.38
▸ APBA1 Q02410 2/20 0.38
▸ CDC25A P30304 1/20 0.38
▸ CDC25C P30307 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ NR4A1 P22736 1/20 0.37

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
SCHEMBL822783 0.94 ADRB2 (0.47) ADRB2ADRB1ADRB3CDC25BUTS2R
SCHEMBL19316666 0.86 TSHR (0.40) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL17307936 0.85 CNR1 (0.44) ADRB2ADRB1ADRB3CDC25BUTS2R
SCHEMBL12018026 0.84 ALDH1A1 (0.51) ADRB2ADRB1ADRB3CDC25BALDH1A1
SCHEMBL12019253 0.83 TSHR (0.40) ALDH1A1HPGDMAPTKDM4ENPC1
SCHEMBL17320113 0.83 ADRB2 (0.39) ADRB2ADRB1ADRB3CDC25BUTS2R
SCHEMBL19223417 0.83 UTS2R (0.40) ADRB2ADRB1ADRB3CDC25BUTS2R
SCHEMBL12018015 0.82 ADRB2 (0.43) ADRB2ADRB1ADRB3CDC25BUTS2R
SCHEMBL12019252 0.82 SCN1A (0.47) ALDH1A1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL12018016 0.81 ADRB2 (0.62) ADRB2ADRB1ADRB3CDC25BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — US disclosed
EP-2317511-B1 Photopolymer formulations with adjustable mechanical module Guv BAYER MATERIALSCIENCE AG (DE) 2012-03-07 — — EP disclosed
EP-2317511-A1 Photopolymer formulations with adjustable mechanical module Guv Bayer MaterialScience AG (DE) 2011-05-04 — — EP 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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA ADRB2 4847/4885ADRB1 4870/4885ADRB3 4843/4885

“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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