SCHEMBL12223880

SCHEMBL12223880

CCC(O)c1ccc(C2CCC(c3ccc(C4CCC(c5ccc(C6CO6)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.35
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ KCNJ1 P48048 1/20 0.32
▸ ADRB2 P07550 2/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ SLC18A3 Q16572 1/20 0.30

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
SCHEMBL12222659 0.91 PDE2A (0.32) PDE2A
SCHEMBL12223466 0.90 KCNJ1 (0.32) PDE2AKCNJ1
SCHEMBL12907071 0.90 KCNJ1 (0.31) ADRA2AADRA2BADRA2CADRA1AKCNJ1
SCHEMBL2608691 0.88 PDE2A (0.35) PDE2AADRA2AADRA2BADRA2CADRA1A
SCHEMBL12223017 0.85 GPR119 (0.36) —
SCHEMBL12223393 0.85 — —
SCHEMBL12223385 0.85 — —
SCHEMBL12223329 0.84 GPR119 (0.34) —
SCHEMBL12222880 0.84 GPR119 (0.34) —
SCHEMBL12836539 0.84 HTR1A (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 PDE2A 2787/4885ADRA2A 1350/4885ADRA2B 2000/4885

“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.

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