SCHEMBL11938850

SCHEMBL11938850

CCCC(O)c1ccc(COC2CCC(c3ccc(-c4ccc(O)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

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 0.30
▸ ADRA1B P35368 1/20 0.30
▸ ACACB O00763 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
SCHEMBL11939059 1.00 ADRA2A (0.31) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12224623 0.97 — —
SCHEMBL10303351 0.97 ADRA2A (0.32) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12223987 0.97 ADRA2A (0.32) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL11939207 0.90 NAAA (0.32) ACACB
SCHEMBL11939329 0.90 NAAA (0.32) ACACB
SCHEMBL11939001 0.89 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12836548 0.89 — —
SCHEMBL12836540 0.89 — —
SCHEMBL12223996 0.89 GPR119 (0.34) 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 ADRA2A 1404/4885ADRA2B 1279/4885ADRA2C 1067/4885

“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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