SCHEMBL12366352

SCHEMBL12366352

C=CCCC1CCC(COc2ccc(OCC3CCCCC3)c(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
MCHR1 Q99705 2/20 0.36
PARP10 Q53GL7 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HPGD P15428 3/20 0.35
RIPK1 Q13546 1/20 0.35
PARP15 Q460N3 2/20 0.35
FFAR1 O14842 1/20 0.33
CYP19A1 P11511 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
SCHEMBL13417736 0.89 RIPK1 (0.38) HTR2AHTR2CHTR2BHPGDRIPK1
SCHEMBL12366452 0.88 RIPK1 (0.37) HTR2AHTR2CHTR2BHPGDRIPK1
SCHEMBL2262979 0.88 RIPK1 (0.37) HTR2AHTR2CHTR2BHPGDRIPK1
SCHEMBL2262973 0.88 RIPK1 (0.37) HTR2AHTR2CHTR2BHPGDRIPK1
SCHEMBL2261794 0.86 PDE4B (0.35) HTR2AHTR2CHTR2BRIPK1
SCHEMBL12366348 0.86 RIPK1 (0.36) HTR2AHTR2CHTR2BHPGDRIPK1
SCHEMBL2261791 0.86 PDE4B (0.35) HTR2AHTR2CHTR2BRIPK1
SCHEMBL18509998 0.86 SLC6A4 (0.39) SLC6A4HTR6MCHR1PARP10HTR2A
SCHEMBL13417733 0.85 RIPK1 (0.35) HTR2AHTR2CHTR2BHPGDRIPK1
SCHEMBL16501544 0.83 SLC6A4 (0.47) SLC6A4HTR6MCHR1PARP10HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SLC6A4 3387/4885HTR6 4326/4885MCHR1 2814/4885

“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.