SCHEMBL10091445

SCHEMBL10091445

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.31
▸ ADRA2A P08913 2/20 0.30
▸ ADRA2B P18089 2/20 0.30
▸ ADRA2C P18825 2/20 0.30
▸ ADRA1A P35348 2/20 0.30
▸ ADRB2 P07550 1/20 0.30
▸ ADRA1B P35368 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
SCHEMBL10091389 0.96 — —
SCHEMBL10303345 0.83 ADRA2A (0.41) NOTUMADRA2AADRA2BADRA2CADRA1A
SCHEMBL12223952 0.83 ADRA2A (0.41) NOTUMADRA2AADRA2BADRA2CADRA1A
SCHEMBL11966363 0.83 NOTUM (0.32) NOTUM
SCHEMBL10091411 0.82 ESR2 (0.33) NOTUMADRA2AADRA2BADRA2CADRA1A
SCHEMBL12821165 0.82 ALOX5AP (0.30) —
SCHEMBL12222809 0.81 ADRA2A (0.31) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12223950 0.81 PDE4A (0.33) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL10302882 0.81 PDE4A (0.33) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12907071 0.81 KCNJ1 (0.31) 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 NOTUM 3367/4885ADRA2A 2852/4885ADRA2B 2606/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 NOTUM 4441/4885ADRA2A 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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