SCHEMBL12018024

SCHEMBL12018024

C=C(C)C(=O)OCC(COC(=O)c1ccccc1-c1ccccc1)OC(=O)Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.49
▸ CHRNA4 P43681 2/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ CDC25C P30307 1/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ SCN1A P35498 3/20 0.36
▸ SCN2A Q99250 3/20 0.36
▸ SCN3A Q9NY46 3/20 0.36
▸ SIGMAR1 Q99720 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
SCHEMBL16143851 0.95 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL12018023 0.93 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL12018025 0.91 ALDH1A1 (0.48) ALDH1A1HPGDL3MBTL1KMT2AKDM4E
SCHEMBL12018022 0.87 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1KMT2AKDM4E
SCHEMBL12018026 0.83 ALDH1A1 (0.51) ALDH1A1HPGDL3MBTL1KMT2AKDM4E
SCHEMBL16143796 0.80 PTPN1 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL12018019 0.80 MEN1 (0.40) ALDH1A1HPGDL3MBTL1KMT2AKDM4E
SCHEMBL16143850 0.80 SCN1A (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL12018021 0.80 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1KMT2AKDM4E
SCHEMBL123522 0.76 ADRB2 (0.42) ALDH1A1HPGDKMT2AKDM4ECDC25A

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-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 CHRNB2 4805/4885CHRNA4 4764/4885CHRNB4 4791/4885

“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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