SCHEMBL12822862

SCHEMBL12822862

CCCCOc1ccc(C2CCC(c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.35
SCN9A Q15858 1/20 0.34
PDE4D Q08499 4/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
APP P05067 1/20 0.33
PTGER2 P43116 3/20 0.32
KDM1A O60341 2/20 0.31
S1PR1 P21453 1/20 0.31
FAAH O00519 2/20 0.31

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
SCHEMBL12822514 0.91 FPR2 (0.33) FPR2PDE4DPDE4APDE4BPDE4C
SCHEMBL14765685 0.87 FPR2 (0.36) FPR2SCN9APDE4DPDE4APDE4B
SCHEMBL12733925 0.86 FPR2 (0.36) FPR2SCN9APDE4DPDE4APDE4B
SCHEMBL14765837 0.85 FPR2 (0.39) FPR2SCN9APDE4DPDE4APDE4B
SCHEMBL12733928 0.83 FPR2 (0.38) FPR2SCN9APDE4DPDE4APDE4B
SCHEMBL12733929 0.82 FPR2 (0.37) FPR2SCN9APDE4DPDE4APDE4B
SCHEMBL12716349 0.82 KDM1A (0.41) FPR2APPKDM1AFAAH
SCHEMBL12733930 0.82 FPR2 (0.37) FPR2SCN9APDE4DPDE4APDE4B
SCHEMBL12717399 0.82 KDM1A (0.38) FPR2PDE4DPDE4APDE4BPDE4C
SCHEMBL12716621 0.82 SCN9A (0.37) FPR2SCN9APDE4DPDE4APDE4B

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 FPR2 589/4885SCN9A 2503/4885PDE4D 2884/4885

“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.