SCHEMBL12376047

SCHEMBL12376047

CCCC1CCC(c2ccc(-c3ccc4c(c3F)C(=O)OC(C)C4)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 8/20 0.37
MAOA P21397 8/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.33
CHEK2 O96017 1/20 0.33
DGAT1 O75907 2/20 0.33
SOAT1 P35610 1/20 0.33
KCNJ1 P48048 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP3A4 P08684 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
SCHEMBL12376062 0.88 KCNJ1 (0.38) MAOBMAOAHTR1AKCNJ1
SCHEMBL12376109 0.86 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12409386 0.85 MAOB (0.35) MAOBMAOAHTR1AKCNJ1
SCHEMBL12376050 0.84 MAOA (0.40) CYP2C9ALDH1A1LMNAMAPTMAOB
SCHEMBL12375877 0.84 MAOA (0.45) CYP2C9ALDH1A1LMNAMAPTMAOB
SCHEMBL12376057 0.83 MAOA (0.44) CYP2C9ALDH1A1LMNAMAPTMAOB
SCHEMBL12376036 0.78 MAOA (0.36) MAOBMAOA
SCHEMBL12375767 0.78 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12376070 0.78 SPHK1 (0.38) MAOBMAOA
SCHEMBL12408862 0.78 MAOB (0.39) CYP2C9MAOBMAOA

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 CYP2C9 1330/4885ALDH1A1 3098/4885LMNA 1252/4885
US-20110193021-A1 COMPOUND HAVING HYDROCOUMARIN SKELETON, LIQUID CRYSTAL COMPOSTITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, HCN2, HCN1 CYP2C9 1598/4885ALDH1A1 3754/4885LMNA 989/4885

“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.