SCHEMBL12908284

SCHEMBL12908284

COc1ccc(OCc2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 11/20 0.40
▸ PPARD Q03181 7/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NAAA Q02083 3/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ F10 P00742 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 1/20 0.36

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
SCHEMBL10303355 0.94 FFAR1 (0.42) FFAR1PPARDPPARA
SCHEMBL12994390 0.92 FFAR1 (0.41) FFAR1PPARDMAPTNAAAPPARA
SCHEMBL12822769 0.88 FFAR1 (0.43) FFAR1PPARDMAPTMAPK1MAOB
SCHEMBL13586315 0.86 SYK (0.39) FFAR1NAAAMAOB
SCHEMBL12823910 0.86 SYK (0.39) FFAR1NAAAMAOB
SCHEMBL12908112 0.86 MRGPRX4 (0.40) FFAR1KDM4EMAPTMAPK1NAAA
SCHEMBL12907670 0.85 F10 (0.38) FFAR1NAAAMAOBF10
SCHEMBL12907723 0.84 FFAR1 (0.37) FFAR1NAAAMAOBF10
SCHEMBL10303112 0.84 MAPT (0.47) FFAR1PPARDKDM4EMAPTMAPK1
SCHEMBL12822597 0.84 FFAR1 (0.50) FFAR1PPARDKDM4EMAPTMAPK1

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-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
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 FFAR1 681/4885PPARD 3874/4885KDM4E 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.

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