SCHEMBL10091422

SCHEMBL10091422

CCCC(O)c1ccc(B(O)O)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ADRA2A P08913 3/20 0.35
▸ ADRA2B P18089 3/20 0.35
▸ ADRA2C P18825 3/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRB2 P07550 2/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ ADRB1 P08588 2/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ PDE2A O00408 1/20 0.32

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
SCHEMBL10302844 0.79 ADRA2A (0.49) CYP11B1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL10302849 0.76 PDE2A (0.34) ADRB2ADRB1ADRB3PDE2A
SCHEMBL12716602 0.75 MEN1 (0.32) —
SCHEMBL9562009 0.72 LPL (0.35) —
SCHEMBL10091381 0.71 CES2 (0.45) CYP11B1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL14510529 0.71 CES2 (0.42) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL13521130 0.71 ADRA2A (0.41) CYP11B1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL10091415 0.71 ESR1 (0.36) CYP11B1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL11942583 0.69 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL15675244 0.69 CFD (0.49) CYP11B1CYP11B2ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — 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
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — US disclosed
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP disclosed
WO-2010082558-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-07-22 — — WO 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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 CYP11B1 4591/4885CYP11B2 4491/4885ADRA2A 970/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CYP11B1 4542/4885CYP11B2 4682/4885ADRA2A 2131/4885

“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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