SCHEMBL12018015

SCHEMBL12018015

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ ADRB3 P13945 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ CDC25B P30305 2/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ CDC25A P30304 1/20 0.38
▸ CDC25C P30307 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NR4A3 Q92570 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ HRH3 Q9Y5N1 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
SCHEMBL17307938 0.83 CNR1 (0.44) ADRB2ADRB1ADRB3CDC25BUTS2R
SCHEMBL17320104 0.82 UTS2R (0.39) ADRB2ADRB1ADRB3NPC1CDC25B
SCHEMBL12018012 0.82 RAB9A (0.40) NPC1KMT2AGAAALDH1A1KDM4E
SCHEMBL172229 0.82 ADRB2 (0.45) ADRB2ADRB1ADRB3NPC1CDC25B
SCHEMBL12018014 0.81 SCN1A (0.45) KMT2AMEN1SMN1; SMN2
SCHEMBL14302947 0.81 CYP3A4 (0.36) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL13374673 0.81 ADRB2 (0.60) ADRB2ADRB1ADRB3NPC1CDC25B
SCHEMBL9301192 0.78 THRB (0.51) ADRB2ADRB1ADRB3NPC1CDC25B
SCHEMBL21312091 0.77 ALDH1A1 (0.51) ADRB2ADRB1ADRB3NPC1CDC25B
SCHEMBL21312289 0.77 ALDH1A1 (0.51) ADRB2ADRB1ADRB3NPC1CDC25B

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
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 — — EP disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — US disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — 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-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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