SCHEMBL12222809

SCHEMBL12222809

CCCC(O)c1ccc(C2CCC(C3CCC(O)CC3)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ 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 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL10091401 0.88 ESR1 (0.33) —
SCHEMBL10091400 0.86 NOTUM (0.30) —
SCHEMBL10091382 0.86 — —
SCHEMBL10091425 0.86 PDE4A (0.32) CYP11B1CYP11B2
SCHEMBL10091389 0.85 — —
SCHEMBL12907071 0.85 KCNJ1 (0.31) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12223289 0.84 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL10303345 0.84 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12223952 0.84 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12223002 0.84 OPRL1 (0.31) —

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 ADRA2A 1350/4885ADRA2B 2000/4885ADRA2C 814/4885

“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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