SCHEMBL12822791

SCHEMBL12822791

CCOc1ccc(C2CCC(COc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.40
▸ FFAR1 O14842 7/20 0.38
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL12823527 1.00 CNR2 (0.40) CNR2FFAR1PDE4APDE4BPDE4C
SCHEMBL12821099 0.93 ACACB (0.35) ALOX5APFEN1
SCHEMBL12821709 0.91 KDM1A (0.41) CNR2FFAR1SCN9A
SCHEMBL12823094 0.90 FFAR1 (0.43) CNR2FFAR1PDE4BPDE4D
SCHEMBL13586280 0.89 FFAR1 (0.35) CNR2FFAR1PDE4APDE4BPDE4C
SCHEMBL1243236 0.89 HTR2A (0.40) CNR2SCN9AALOX5APFEN1CNR1
SCHEMBL1242479 0.89 HTR2A (0.40) CNR2SCN9AALOX5APFEN1CNR1
SCHEMBL14922658 0.89 HTR2A (0.40) CNR2SCN9AALOX5APFEN1CNR1
SCHEMBL12823530 0.88 FFAR1 (0.45) FFAR1
SCHEMBL12822621 0.88 FFAR1 (0.43) CNR2FFAR1

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 CNR2 686/4885FFAR1 247/4885PDE4A 3366/4885

“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.

Send feedback