SCHEMBL10301613

SCHEMBL10301613

CCCCCc1ccc(C2CCC(c3ccc(OC)c(F)c3F)CC2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
ALOX5 P09917 5/20 0.37
PTGS2 P35354 4/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SPHK1 Q9NYA1 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTR2A P28223 1/20 0.35
KDM1A O60341 2/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL10301616 0.91 KDM1A (0.40) PDE4APDE4BPDE4CPDE4DSPHK1
SCHEMBL10301612 0.87 KDM1A (0.38) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL10301640 0.87 ALOX5 (0.43) SLC6A2SLC6A4SLC6A3ALOX5PTGS2
SCHEMBL10301611 0.86 SPHK1 (0.39) ALOX5SPHK1CNR1CNR2
SCHEMBL10302687 0.84 DRD4 (0.39) SLC6A2SLC6A4SLC6A3ALOX5PTGS2
SCHEMBL10302431 0.84 CNR2 (0.42) CNR1CNR2
SCHEMBL10302161 0.84 LYPLA1 (0.37) SLC6A2SLC6A4SLC6A3ALOX5PTGS2
SCHEMBL12733684 0.84 CYP2C9 (0.39) SPHK1CNR2HTR2A
SCHEMBL12735831 0.84 CYP2C9 (0.33) SPHK1CNR1CNR2HTR2AKDM1A
SCHEMBL18175659 0.84 SCN9A (0.36) PDE4APDE4BPDE4CPDE4DSPHK1

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 SLC6A2 3969/4885SLC6A4 3574/4885SLC6A3 1498/4885

“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.