SCHEMBL10302001

SCHEMBL10302001

COc1ccc(-c2ccc(CCc3ccc(CO)cc3F)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
FYN P06241 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP19A1 P11511 1/20 0.36
ABCB1 P08183 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALOX5 P09917 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL10302031 0.91 KDM4E (0.39) FFAR4KDM4EALDH1A1CYP19A1PDCD1
SCHEMBL10302003 0.90 KDM4E (0.36) FFAR4KDM4EALDH1A1CYP19A1ALOX5
SCHEMBL10302002 0.89 S1PR1 (0.41) FFAR4FFAR1GABRA1GABRB2CYP4F2
SCHEMBL10303035 0.89 FFAR1 (0.41) FFAR1CYP19A1
SCHEMBL12740101 0.88 FYN (0.39) FFAR4FYNALDH1A1CYP19A1ABCB1
SCHEMBL12735563 0.88 FYN (0.39) FFAR4FYNALDH1A1CYP19A1ABCB1
SCHEMBL10302528 0.87 FFAR1 (0.42) FFAR4KDM4EALDH1A1FFAR1ABCB1
SCHEMBL10302024 0.86 KDM4E (0.39) FFAR4KDM4EALDH1A1CYP19A1ALOX5
SCHEMBL10301997 0.86 RARB (0.44) ALOX5GABRA1GABRB2
SCHEMBL10301924 0.86 PDCD1 (0.38) FFAR4FYNKDM4EALDH1A1CYP19A1

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-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

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 FFAR4 1669/4885FYN 477/4885KDM4E 2638/4885

“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.