SCHEMBL12823169

SCHEMBL12823169

CCOc1ccc(CCc2ccc(-c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 15/20 0.39
▸ FFAR1 O14842 3/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL12823251 0.94 FFAR4 (0.39) FFAR4FFAR1MAOAMAOBPTGS2
SCHEMBL13586192 0.92 FFAR4 (0.38) FFAR4FFAR1HTR2A
SCHEMBL12823509 0.90 FFAR4 (0.40) FFAR4FFAR1MAOAMAOBPTGS2
SCHEMBL12718875 0.89 FFAR4 (0.37) FFAR4FFAR1HTR2AMAOAMAOB
SCHEMBL12740054 0.89 FFAR4 (0.40) FFAR4FFAR1HTR2A
SCHEMBL12740055 0.89 FFAR4 (0.40) FFAR4FFAR1HTR2A
SCHEMBL12822669 0.88 FFAR4 (0.36) FFAR4FFAR1HTR2AMAOAMAOB
SCHEMBL12740042 0.88 FFAR4 (0.39) FFAR4FFAR1HTR2A
SCHEMBL14766903 0.88 FFAR4 (0.39) FFAR4FFAR1HTR2A
SCHEMBL13586225 0.88 FFAR4 (0.39) FFAR4FFAR1HTR2A

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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 (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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 FFAR4 546/4885FFAR1 247/4885HTR2A 841/4885

“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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