SCHEMBL12376062

SCHEMBL12376062

CCCC1CCC(CCc2ccc(-c3ccc4c(c3F)C(=O)OC(C)C4)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.38
MAOA P21397 11/20 0.37
MAOB P27338 8/20 0.37
GRM2 Q14416 3/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR2A P28223 1/20 0.32
HTR1A P08908 1/20 0.32
MPL P40238 1/20 0.31

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
SCHEMBL12376047 0.88 CYP2C9 (0.40) KCNJ1MAOAMAOBHTR1A
SCHEMBL12409386 0.85 MAOB (0.35) KCNJ1MAOAMAOBHTR1A
SCHEMBL12375894 0.85 RARB (0.41) KCNJ1MAOAMAOBGRM2MPL
SCHEMBL12375905 0.83 MAOA (0.41) KCNJ1MAOAMAOBHTR2AHTR1A
SCHEMBL12376015 0.82 RARB (0.36) MPL
SCHEMBL12376050 0.80 MAOA (0.40) KCNJ1MAOAMAOBHTR1A
SCHEMBL12376067 0.80 MAOA (0.40) KCNJ1MAOAMAOB
SCHEMBL12375890 0.80 MPL (0.37) MAOAGRM2HTR2AMPL
SCHEMBL12375877 0.79 MAOA (0.45) MAOAMAOBHTR1A
SCHEMBL12376054 0.79 MPL (0.37) MAOAGRM2HTR2AMPL

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
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-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 KCNJ1 2572/4885MAOA 4598/4885MAOB 4652/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 KCNJ1 1251/4885MAOA 4053/4885MAOB 4167/4885

“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.