SCHEMBL12223580

SCHEMBL12223580

CCCC(O)c1ccc(C2CCC(COC3CCC(C4CCC(c5ccc(O)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.36
▸ ADRA2A P08913 2/20 0.31
▸ ADRA2B P18089 2/20 0.31
▸ ADRA2C P18825 2/20 0.31
▸ ADRA1A P35348 2/20 0.31
▸ ADRB2 P07550 2/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ HCRTR2 O43614 4/20 0.31
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 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
SCHEMBL12223009 1.00 GPR119 (0.36) GPR119ADRA2AADRA2BADRA2CADRA1A
SCHEMBL12224646 0.93 GPR119 (0.34) GPR119ADRA2AADRA2BADRA2CADRA1A
SCHEMBL12223996 0.93 GPR119 (0.34) GPR119ADRA2AADRA2BADRA2CADRA1A
SCHEMBL12224684 0.90 GPR119 (0.36) GPR119HCRTR2
SCHEMBL12224680 0.90 GPR119 (0.36) GPR119HCRTR2
SCHEMBL12223572 0.89 GPR119 (0.31) GPR119
SCHEMBL12224080 0.89 GPR119 (0.31) GPR119
SCHEMBL12223565 0.88 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12224589 0.86 CNR2 (0.33) —
SCHEMBL10303142 0.86 CNR2 (0.36) ADRA2AADRA2BADRA2CADRA1AADRB2

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 GPR119 4269/4885ADRA2A 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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