SCHEMBL12018017

SCHEMBL12018017

C=C(C)C(=O)OCC(COC(=O)Nc1cccc(SC)c1)OC(=O)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.45
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ POLB P06746 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 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
SCHEMBL12018018 0.93 F2R (0.42) F2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16152513 0.89 MAPT (0.41) F2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL125754 0.89 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL12018020 0.88 MEN1 (0.40) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL123521 0.81 ADRB2 (0.41) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL12018019 0.81 MEN1 (0.40) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL12018021 0.79 ALDH1A1 (0.47) F2RMAPTKMT2ASMN1; SMN2POLB
SCHEMBL16143876 0.77 F2R (0.36) F2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL24434320 0.76 MEN1 (0.52) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL12019253 0.76 TSHR (0.40) MAPTKMT2ASMN1; SMN2ALDH1A1RAB9A

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
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

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 F2R 3234/4885MAPT 299/4885MEN1 157/4885

“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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