SCHEMBL10091411

SCHEMBL10091411

CCCC(O)c1ccc(C2CCC(=O)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.33
▸ 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
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ NOTUM Q6P988 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
SCHEMBL10091400 0.93 NOTUM (0.30) NOTUM
SCHEMBL11943411 0.92 PTGER2 (0.33) ESR2
SCHEMBL10303345 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12223952 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL10091445 0.82 NOTUM (0.31) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL11966361 0.82 ESR2 (0.37) ESR2NOTUM
SCHEMBL11939001 0.81 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12821167 0.81 PTGER2 (0.32) —
SCHEMBL12222809 0.81 ADRA2A (0.31) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL10302882 0.81 PDE4A (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 — — US disclosed
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 — — 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 (2 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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 ESR2 3467/4885ADRA2A 2852/4885ADRA2B 2606/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 ESR2 1332/4885ADRA2A 970/4885ADRA2B 1551/4885

“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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