SCHEMBL12018022

SCHEMBL12018022

C=C(C)C(=O)OCC(COC(=O)c1ccccc1Br)OC(=O)Nc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ CDC25A P30304 1/20 0.42
▸ CDC25C P30307 1/20 0.42
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36

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
SCHEMBL12018021 0.93 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL12018025 0.92 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL12018024 0.87 CHRNB2 (0.49) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL12018026 0.84 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL16143851 0.82 CHRNB2 (0.43) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL12018023 0.80 CHRNB2 (0.49) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL16143885 0.79 MAPT (0.34) ALDH1A1HPGDKDM4EKMT2AADRB2
SCHEMBL12018018 0.79 F2R (0.42) ALDH1A1HPGDKDM4EKMT2ACYP1A2
SCHEMBL123522 0.78 ADRB2 (0.42) ALDH1A1HPGDKDM4EKMT2ACDC25B
SCHEMBL822783 0.77 ADRB2 (0.47) ALDH1A1HPGDKDM4EKMT2AL3MBTL1

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 ALDH1A1 3355/4885HPGD 1147/4885KDM4E 150/4885

“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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