SCHEMBL13829005

SCHEMBL13829005

C=CC(=O)OCCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCCCCCCOC(=O)C=C)cc3F)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
LSS P48449 4/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
CRBN Q96SW2 1/20 0.39
HTT P42858 1/20 0.39
MAOB P27338 1/20 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
SCHEMBL13828768 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13828773 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13717897 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13828879 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13829008 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13828882 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13828980 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13828875 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13829006 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB
SCHEMBL13828877 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4LSSTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150786-B2 Polymerizable monomer compound, liquid crystal composition, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-10-06 US disclosed
US-20120286201-A1 POLYMERIZABLE MONOMER COMPUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-15 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-20120286201-A1 POLYMERIZABLE MONOMER COMPUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE MBD2, CCND1, MBTD1 TSHR 4007/4885ALDH1A1 2819/4885CYP3A4 1685/4885

“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.