SCHEMBL10303003

SCHEMBL10303003

CCOCc1ccc(-c2ccc(CCc3ccc(O)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.34
ALOX5 P09917 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MPL P40238 2/20 0.32
ESR1 P03372 1/20 0.32
CYP19A1 P11511 1/20 0.32
ESR2 Q92731 1/20 0.32
GABRA1 P14867 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
SCHEMBL12717000 0.92 ESR1 (0.37) CHKAALDH1A1TP53CYP3A4HIF1A
SCHEMBL12718487 0.92 ESR1 (0.37) CHKAALDH1A1TP53CYP3A4HIF1A
SCHEMBL12740121 0.87 FFAR4 (0.38) CHKAALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL12735610 0.87 FFAR4 (0.38) CHKAALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL10303002 0.87 RARB (0.37) ALOX5ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10301934 0.86 CHKA (0.34) CHKAFFAR1FFAR4
SCHEMBL12823617 0.86 FFAR4 (0.33) CHKAFFAR1FFAR4
SCHEMBL10303099 0.85 FFAR4 (0.35) CHKAALOX5GABRA1GABRB2FFAR4
SCHEMBL10303084 0.85 HCAR2 (0.36) ALDH1A1TP53CYP1A2CYP3A4CYP2C9
SCHEMBL13654137 0.85 ABCB1 (0.34) CHKAALOX5CYP19A1GABRA1GABRB2

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-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-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

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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CHKA 1699/4885ALOX5 2686/4885ALDH1A1 1806/4885

“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.