SCHEMBL12376054

SCHEMBL12376054

CCCc1ccc(-c2ccc(-c3ccc4c(c3F)C(=O)OC(CCC)C4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.37
MAOA P21397 2/20 0.33
CYP3A4 P08684 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
AKR1B1 P15121 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
GRM2 Q14416 2/20 0.31
S1PR1 P21453 2/20 0.30
S1PR4 O95977 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL12375890 0.99 MPL (0.37) MPLMAOACYP3A4SIRT2HTR2A
SCHEMBL12376053 0.92 MAOA (0.40) MPLMAOAHTR2AHTR2CHTR2B
SCHEMBL12375899 0.91 MAOA (0.34) MPLMAOACYP3A4SIRT2HTR2A
SCHEMBL12375888 0.91 MAOA (0.41) MPLMAOAHTR2AHTR2CHTR2B
SCHEMBL12376039 0.90 MPL (0.37) MPLMAOACYP3A4SIRT2HTR2A
SCHEMBL12376073 0.90 MAOA (0.40) MPLMAOAHTR2AHTR2CHTR2B
SCHEMBL12622106 0.87 CYP3A4 (0.36) MPLMAOACYP3A4GRM2S1PR1
SCHEMBL12409599 0.84 MAOA (0.37) MPLMAOAHTR2AHTR2CHTR2B
SCHEMBL12375924 0.84 CYP3A4 (0.34) MAOACYP3A4SIRT2AKR1B1
SCHEMBL12375895 0.83 RARB (0.40) MPLMAOAS1PR1S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-08-11 US disclosed
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-08-11 US disclosed
US-7951305-B2 Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-7951305-B2 Compound having hydrocoumarin skeleton, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2009-10-29 US disclosed
US-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2009-10-29 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 (2 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-20090267026-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE HCN2, PIEZO1, TRPV4 MPL 4076/4885MAOA 4598/4885CYP3A4 1055/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 MPL 3919/4885MAOA 4053/4885CYP3A4 1024/4885

“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.