SCHEMBL4189304

SCHEMBL4189304

CCCCc1ccc(-c2ccc(B(O)O)cc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
LPL P06858 8/20 0.55
LIPG Q9Y5X9 8/20 0.55
RARB P10826 5/20 0.55
TRPV1 Q8NER1 1/20 0.54
MGLL Q99685 1/20 0.54
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
MPL P40238 3/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40

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
SCHEMBL6557463 0.96 LPL (0.62) CA1CA2LPLLIPGRARB
SCHEMBL8767993 0.91 LPL (0.59) CA1CA2LPLLIPGRARB
SCHEMBL9493977 0.87 LPL (0.62) CA1CA2LPLLIPGRARB
SCHEMBL10975470 0.83 RARB (0.61) CA1CA2RARBRARARARG
SCHEMBL12696478 0.83 CA1 (0.61) CA1CA2LPLLIPGRARB
SCHEMBL14175170 0.82 RARB (0.59) RARBRARARARGMPLS1PR1
SCHEMBL9662908 0.82 RARB (0.59) CA1CA2RARBRARARARG
SCHEMBL10978118 0.80 RARB (0.58) RARBRARARARGMPLS1PR1
SCHEMBL10981036 0.80 RARB (0.66) RARBRARARARGMPL
SCHEMBL10986630 0.80 RARB (0.58) CA1CA2RARBRARARARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126006-B1 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2009-03-04 EP disclosed
US-6569505-B2 Holography MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2003-05-27 US disclosed
US-20020142108-A1 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-10-03 US disclosed
EP-1126006-A2 Liquid crystal compounds, liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2001-08-22 EP 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-20020142108-A1 Liquid crystal compounds, liquid crystal medium and liquid crystal display CDC25C, TEC, PLK1 CA1 311/4885CA2 1147/4885LPL 1308/4885

“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.