SCHEMBL12787049

SCHEMBL12787049

CC(O)c1ccc(-c2ccc(O)c(F)c2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ AR P10275 1/20 0.38
▸ ADRA2A P08913 3/20 0.38
▸ ADRA2B P18089 3/20 0.38
▸ ADRA2C P18825 3/20 0.38
▸ ADRA1A P35348 3/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ HTR2B P41595 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ GCGR P47871 2/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31

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
SCHEMBL10302847 0.92 ADRB2 (0.43) ADRB2ADRB1ADRB3ARADRA2A
SCHEMBL4451075 0.78 AR (0.46) ADRB2ARADRA2AADRA2BADRA2C
SCHEMBL11965809 0.78 CES2 (0.37) PDE2A
SCHEMBL20443883 0.77 ADRA1A (0.45) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL10302859 0.73 MMP1 (0.33) PDE2ALMNA
SCHEMBL10302852 0.73 AKR1C3 (0.42) ESR1ESR2HTR2AHTR2C
SCHEMBL1998634 0.73 CES2 (0.50) ADRB2ADRB1ADRB3ADRA2AADRA2B
SCHEMBL12196477 0.71 AR (0.42) ARESR1ESR2
SCHEMBL11965807 0.71 ESR2 (0.33) ESR2PDE2A
SCHEMBL17429416 0.71 TSHR (0.53) ADRB2ADRB1ADRB3ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097519-A1 Liquid Crystal Composition and Liquid Crystal Display Device CHISSO CORPORATION (JP) 2011-04-28 — — US disclosed
US-7851032-B2 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-12-14 — — US disclosed
US-20090278089-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 — — 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-20090278089-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE VCL, NLK, LASP1 ADRB2 1600/4885ADRB1 2622/4885ADRB3 3150/4885

“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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