SCHEMBL6557463

SCHEMBL6557463

CCCCCc1ccc(-c2ccc(B(O)O)cc2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.62
LIPG Q9Y5X9 7/20 0.62
RARB P10826 6/20 0.61
TRPV1 Q8NER1 1/20 0.60
MGLL Q99685 1/20 0.60
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
RARA P10276 1/20 0.48
RARG P13631 1/20 0.48
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41

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
SCHEMBL4189304 0.96 CA1 (0.61) LPLLIPGRARBTRPV1MGLL
SCHEMBL9493977 0.92 LPL (0.62) LPLLIPGRARBTRPV1MGLL
SCHEMBL8767993 0.90 LPL (0.59) LPLLIPGRARBTRPV1MGLL
SCHEMBL9398982 0.84 RARB (0.68) LPLLIPGRARBRARARARG
SCHEMBL17070353 0.83 LPL (0.62) LPLLIPGRARBTRPV1MGLL
SCHEMBL29733595 0.83 LPL (0.62) LPLLIPGRARBTRPV1MGLL
SCHEMBL15725330 0.82 RARB (0.67) LPLLIPGRARBRARARARG
SCHEMBL10981922 0.82 RARB (0.70) LPLLIPGRARBRARARARG
SCHEMBL10977018 0.82 RARB (0.70) LPLLIPGRARBRARARARG
SCHEMBL10975095 0.82 RARB (0.70) LPLLIPGRARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868906-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-16 US disclosed
US-9868906-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-16 US disclosed
US-20170240812-A1 SUBSTITUTED POLYPHENYLS MERCK PATENT GMBH (DE) 2017-08-24 US disclosed
US-9714383-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-07-25 US disclosed
US-9714383-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-07-25 US disclosed
US-9714383-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-07-25 US disclosed
US-20160168463-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-16 US disclosed
US-20160168463-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-16 US disclosed
US-20160168463-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-06-16 US disclosed
US-20160137922-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137922-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137922-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-05-19 US disclosed
EP-1223209-B1 Fluorinated fluorenes and use thereof in liquid crystal mixtures CLARIANT INT LTD (CH) 2004-03-03 EP disclosed
EP-1223209-A1 Fluorinated fluorenes and use thereof in liquid crystal mixtures CLARIANT INTERNATIONAL LTD. (CH) 2002-07-17 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 (3 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-20160137922-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE VCL, LASP1, L1CAM LPL 1503/4885LIPG 1350/4885RARB 2084/4885
US-20170240812-A1 SUBSTITUTED POLYPHENYLS PDS5A, XPA, F2 LPL 2808/4885LIPG 4227/4885RARB 3043/4885
US-20160168463-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NLK, NCAPD2, LASP1 LPL 1669/4885LIPG 1513/4885RARB 2356/4885

“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.