SCHEMBL12019252

SCHEMBL12019252

C=C(C)C(=O)OCC(CO)OC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 5/20 0.47
▸ SCN2A Q99250 5/20 0.47
▸ SCN3A Q9NY46 5/20 0.47
▸ CHRNB2 P17787 3/20 0.41
▸ CHRNB4 P30926 3/20 0.41
▸ CHRNA3 P32297 3/20 0.41
▸ CHRNA4 P43681 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLC6A4 P31645 2/20 0.37
▸ BCAT2 O15382 1/20 0.37
▸ ALDH1A1 P00352 2/20 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
SCHEMBL19316649 0.87 TSHR (0.39) SCN1ASCN2ASCN3APTGS2TSHR
SCHEMBL12019253 0.84 TSHR (0.40) PTGS2TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL16127934 0.83 SCN1A (0.40) SCN1ASCN2ASCN3ACHRNB2CHRNB4
SCHEMBL12018013 0.82 SCN1A (0.48) SCN1ASCN2ASCN3ACHRNB2CHRNB4
SCHEMBL19316666 0.82 TSHR (0.40) PTGS2TSHRMEN1KMT2ALMNA
SCHEMBL19316647 0.82 TSHR (0.39) SCN1ASCN2ASCN3ATSHRMEN1
SCHEMBL172229 0.82 ADRB2 (0.45) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12018014 0.81 SCN1A (0.45) SCN1ASCN2ASCN3ACHRNB2CHRNB4
SCHEMBL9615565 0.81 ALDH1A1 (0.45) PTGS2TSHRLMNAALDH1A1
SCHEMBL12018023 0.80 CHRNB2 (0.49) SCN1ASCN2ASCN3ACHRNB2CHRNB4

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 1 patent. 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

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 SCN1A 4349/4885SCN2A 4042/4885SCN3A 4263/4885

“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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