SCHEMBL12018014

SCHEMBL12018014

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 4/20 0.45
▸ SCN2A Q99250 4/20 0.45
▸ SCN3A Q9NY46 4/20 0.45
▸ THRB P10828 1/20 0.39
▸ BCAT2 O15382 1/20 0.38
▸ CHRNB2 P17787 4/20 0.37
▸ CHRNB4 P30926 4/20 0.37
▸ CHRNA3 P32297 4/20 0.37
▸ CHRNA4 P43681 4/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC6A4 P31645 2/20 0.35

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
SCHEMBL12018012 0.84 RAB9A (0.40) THRBCYP3A4TSHRKMT2ASMN1; SMN2
SCHEMBL14302947 0.82 CYP3A4 (0.36) THRBCYP3A4TSHR
SCHEMBL12019252 0.81 SCN1A (0.47) SCN1ASCN2ASCN3ABCAT2CHRNB2
SCHEMBL12018015 0.81 ADRB2 (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL13497084 0.80 ALDH1A1 (0.45) THRBCYP3A4TSHRKMT2A
SCHEMBL6278586 0.79 SCN1A (0.57) SCN1ASCN2ASCN3ATHRBBCAT2
SCHEMBL11205065 0.78 ALDH1A1 (0.44) THRBCYP3A4TSHRKMT2A
SCHEMBL3155745 0.78 ALDH1A1 (0.44) THRBCYP3A4TSHRKMT2A
SCHEMBL29315459 0.76 SCN1A (0.59) SCN1ASCN2ASCN3ATHRBBCAT2
SCHEMBL26980133 0.76 SCN1A (0.59) SCN1ASCN2ASCN3ATHRBBCAT2

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 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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