SCHEMBL12366390

SCHEMBL12366390

Fc1cccc(OCC2CCC3(CC2)OCCO3)c1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
METAP2 P50579 1/20 0.35
DHFR P00374 1/20 0.35
DCPS Q96C86 1/20 0.35
HTR2C P28335 4/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
KCNN4 O15554 1/20 0.34
IDO1 P14902 1/20 0.34
RIPK1 Q13546 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MCHR1 Q99705 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL5527733 0.89 KDM4E (0.42) HTR2CHTR2AHTR2BKCNN4RIPK1
SCHEMBL12366333 0.87 ALDH1A1 (0.38) DHFRDCPSHTR2CHTR2AHTR2B
SCHEMBL15969381 0.82 RIPK1 (0.46) SLC6A2SLC6A4SLC6A3METAP2HTR2C
SCHEMBL1013733 0.82 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL18466652 0.78 MCHR1 (0.50) SLC6A2SLC6A4SLC6A3METAP2KCNN4
SCHEMBL5524579 0.77 GPR119 (0.44) GPR119
SCHEMBL5525469 0.76 KDM4E (0.46) IDO1GPR119MCHR1
SCHEMBL23074226 0.76 RIPK1 (0.41) SLC6A2SLC6A4SLC6A3METAP2HTR2C
SCHEMBL21387486 0.76 RIPK1 (0.41) SLC6A2SLC6A4SLC6A3METAP2DCPS
SCHEMBL21575503 0.76 TLR9 (0.42) SLC6A2SLC6A4SLC6A3METAP2DCPS

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
EP-1860089-B1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION MAKING USE OF THE SAME DAINIPPON INK & CHEMICALS (JP) 2011-12-21 EP disclosed
US-8003006-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2011-08-23 US disclosed
US-8003006-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2011-08-23 US disclosed
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-08-13 US disclosed
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-08-13 US disclosed
EP-1860089-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION MAKING USE OF THE SAME Dainippon Ink and Chemicals, Incorporated (JP) 2007-11-28 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-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME TRPV2, HCN2, DVL1 SLC6A2 2829/4885SLC6A4 3387/4885SLC6A3 2502/4885

“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.