SCHEMBL12018019

SCHEMBL12018019

C=C(C)C(=O)OCC(COC(=O)c1ccccc1-c1ccccc1)OC(=O)Nc1cccc(SC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ GFER P55789 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
SCHEMBL12018020 0.93 MEN1 (0.40) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL12018018 0.88 F2R (0.42) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL123521 0.87 ADRB2 (0.41) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL16152513 0.81 MAPT (0.41) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL12018017 0.81 F2R (0.45) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL125754 0.80 MAPT (0.40) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL12018024 0.80 CHRNB2 (0.49) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL16143851 0.78 CHRNB2 (0.43) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL16143796 0.78 PTPN1 (0.36) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL13872067 0.77 LMNA (0.52) MEN1KMT2AMAPTSMN1; SMN2HSD17B10

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 MEN1 157/4885KMT2A 1048/4885MAPT 299/4885

“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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