SCHEMBL12018018

SCHEMBL12018018

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLB P06746 4/20 0.39
▸ SMN1; SMN2 Q16637 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

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
SCHEMBL12018017 0.93 F2R (0.45) F2RMAPTMEN1KMT2APOLB
SCHEMBL16152513 0.93 MAPT (0.41) F2RMAPTMEN1KMT2APOLB
SCHEMBL123521 0.89 ADRB2 (0.41) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12018019 0.88 MEN1 (0.40) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL125754 0.81 MAPT (0.40) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12018020 0.81 MEN1 (0.40) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL12018022 0.79 ALDH1A1 (0.45) MAPTKMT2AALDH1A1RAB9AHPGD
SCHEMBL16143885 0.77 MAPT (0.34) F2RMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13872067 0.76 LMNA (0.52) MAPTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL24434320 0.74 MEN1 (0.52) MAPTMEN1KMT2APOLBSMN1; SMN2

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 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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