SCHEMBL10303161

SCHEMBL10303161

CCCC(O)c1ccc(OCc2ccc(-c3ccc(O)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.33
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ADRB2 P07550 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 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
SCHEMBL10302845 0.93 FFAR4 (0.35) FFAR4ADRA1AKDM4EMAPTMAPK1
SCHEMBL12822925 0.90 FFAR4 (0.33) FFAR4GABRA1GABRB2KDM4EMAPT
SCHEMBL12823854 0.90 FFAR4 (0.33) FFAR4GABRA1GABRB2KDM4EMAPT
SCHEMBL10303119 0.86 ABCB1 (0.38) FFAR4MAPT
SCHEMBL10303070 0.85 CYP17A1 (0.38) —
SCHEMBL10303090 0.85 CNR2 (0.34) FFAR4GABRA1GABRB2ADRA1AKDM4E
SCHEMBL10303057 0.85 GABRA1 (0.33) FFAR4GABRA1GABRB2ADRA1AKDM4E
SCHEMBL12822822 0.84 KMT2A (0.37) FFAR4ADRA1AKDM4EMAPTMAPK1
SCHEMBL12821312 0.84 KMT2A (0.37) FFAR4ADRA1AKDM4EMAPTMAPK1
SCHEMBL12907051 0.83 FPR2 (0.32) FFAR4KDM4EMAPTNPC1ALDH1A1

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 1669/4885GABRA1 3899/4885GABRB2 4451/4885

“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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