SCHEMBL12433558

SCHEMBL12433558

CCCC1CCC(c2ccc(OC(=O)c3c(C)cc(OCC)c(F)c3F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.34
MCHR1 Q99705 4/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
DGAT1 O75907 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
ESR2 Q92731 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL12433557 0.89 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL13029029 0.84 CYP2C9 (0.43) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL6896856 0.83 CYP2C9 (0.46) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL11033215 0.82 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL11033214 0.82 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL12433595 0.82 MAPT (0.34) CYP2C9MAPTALDH1A1LMNARAB9A
SCHEMBL13025717 0.79 CYP2C9 (0.42) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8567900 0.78 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL21042771 0.78 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8567902 0.78 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAMEN1

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-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US disclosed
EP-1997867-A1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2008-12-03 EP disclosed
EP-1655360-B1 Compound having alkyl on benzene ring, liquid crystal compositions having the compound and liquid crystal display device having the liquid crystal composition CHISSO CORP (JP) 2008-11-12 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 (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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 CYP2C9 160/4885MAPT 1175/4885ALDH1A1 1134/4885

“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.